SCHEMBL9006984

SCHEMBL9006984

O=C1CCc2ccc(Br)cc2S1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PARP10 Q53GL7 2/20 0.40
PARP1 P09874 1/20 0.40
CMA1 P23946 1/20 0.38
AHR P35869 1/20 0.38
METAP1 P53582 1/20 0.37
TDP2 O95551 1/20 0.36
PARP11 Q9NR21 1/20 0.36
HSD17B3 P37058 3/20 0.36
PNMT P11086 1/20 0.35
ASIC3 Q9UHC3 1/20 0.35
SRD5A1 P18405 3/20 0.35
SRD5A2 P31213 1/20 0.35
TYMS P04818 2/20 0.34
HSP90AA1 P07900 1/20 0.33
TLR9 Q9NR96 1/20 0.33
S100A4 P26447 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8561388 0.85 PARP10 (0.43) TDP1L3MBTL1PARP10PARP1CMA1
SCHEMBL29070094 0.82 CMA1 (0.43) TDP1L3MBTL1PARP10PARP1CMA1
SCHEMBL30569555 0.82 CMA1 (0.43) TDP1L3MBTL1PARP10PARP1CMA1
SCHEMBL11011673 0.77 L3MBTL1 (0.47) TDP1L3MBTL1PARP10PARP1HSD17B3
SCHEMBL9024905 0.73 TYMS (0.38) TYMS
SCHEMBL6238887 0.71 ALDH1A1 (0.47) L3MBTL1PARP10PARP1PARP11
SCHEMBL29836089 0.71 ALDH1A1 (0.47) L3MBTL1PARP10PARP1PARP11
SCHEMBL16710755 0.71 METAP1 (0.42) TDP1L3MBTL1PARP10PARP1CMA1
SCHEMBL30015520 0.69 TDP1 (0.39) TDP1L3MBTL1PARP10PARP1CMA1
Hydrochloric Acid SCHEMBL28694708 0.69 ALDH1A1 (0.46) L3MBTL1PARP10PARP1PARP11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4294790-A1 SMARCA DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2023-12-27 EP disclosed
EP-0738267-A1 ACETYLENES DISUBSTITUTED WITH A PHENYL OR HETEROARYL GROUP AND A 2-OXOCHROMANYL, 2-OXOTHIOCHROMANYL OR 2-OXO-1,2,3,4-TETRAHYDROQUINOLINYL GROUP HAVING RETINOID-LIKE ACTIVITY Allergan (US) 1996-10-23 EP disclosed
EP-0571546-B1 CHROMAN AND THIOCHROMANS WITH PHENYLETHYNYL SUBSTITUENTS AT THE 7-POSITION HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN INC (US) 1996-10-16 EP disclosed
WO-1995018803-A1 ACETYLENES DISUBSTITUTED WITH A PHENYL OR HETEROARYL GROUP AND A 2-OXOCHROMANYL, 2-OXOTHIOCHROMANYL OR 2-OXO-1,2,3,4-TETRAHYDROQUINOLINYL GROUP HAVING RETINOID-LIKE ACTIVITY ALLERGAN (US) 1995-07-13 WO disclosed
US-5399561-A Used for treating skin disorders in mammals ALLERGAN, INC. (US) 1995-03-21 US disclosed
US-5346915-A Chromans and thiochromans with phenylethynyl substituents at the 7-position having retinold-like biological activity ALLERGAN, INC. (US) 1994-09-13 US disclosed
US-5346895-A Treating dermatoses, immunological disorders, wound healing ALLERGAN, INC. (US) 1994-09-13 US disclosed
EP-0577737-A1 CHROMANS AND THIOCHROMANS WITH HETEROARYLETHYNYL SUBSTITUENTS AT THE 7-POSITION HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 1994-01-12 EP disclosed
EP-0571546-A1 CHROMAN AND THIOCHROMANS WITH PHENYLETHYNYL SUBSTITUENTS AT THE 7-POSITION HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY. ALLERGAN INC (US) 1993-12-01 EP disclosed
WO-1992017471-A1 CHROMANS AND THIOCHROMANS WITH HETEROARYLETHYNYL SUBSTITUENTS AT THE 7-POSITION HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 1992-10-15 WO disclosed
WO-1992014725-A1 CHROMAN AND THIOCHROMANS WITH PHENYLETHYNYL SUBSTITUENTS AT THE 7-POSITION HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 1992-09-03 WO disclosed