SCHEMBL27745788

SCHEMBL27745788

O=CC1c2ccccc2-c2ccccc2N1c1ccc(O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ RAB9A P51151 6/20 0.35
▸ ESR1 P03372 2/20 0.35
▸ ESR2 Q92731 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ GPR3 P46089 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34

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
SCHEMBL28486861 0.66 MEN1 (0.31) GAAESR1ESR2MEN1KMT2A
SCHEMBL28431611 0.66 GAA (0.40) GAAPOLBALDH1A1RAB9ASMN1; SMN2
Bromide SCHEMBL15201212 0.65 MAPT (0.36) GAAPOLBKDM4EALDH1A1ESR1
SCHEMBL16623702 0.64 GPR3 (0.50) GAAPOLBKDM4EALDH1A1GPR3
SCHEMBL20537230 0.63 RAB9A (0.51) GAAPOLBKDM4EALDH1A1RAB9A
SCHEMBL11568575 0.60 CYP2D6 (0.37) GAAPOLBALDH1A1RAB9AHSD17B10
SCHEMBL224931 0.59 GPR3 (0.41) POLBALDH1A1GPR3MEN1KMT2A
SCHEMBL29711937 0.59 GPR3 (0.41) POLBALDH1A1GPR3MEN1KMT2A
SCHEMBL918436 0.58 KMT2A (0.61) GAAKDM4ERAB9AESR1ESR2
SCHEMBL17014574 0.58 IDO1 (0.43) GAAPOLBKDM4EALDH1A1RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101336227-A Nuclear receptor binding agents GTX INC (US) 2008-12-31 — — CN claimed
CN-102702013-B Nuclear receptor binding agents GTX INC. (US) 2016-02-10 — — CN disclosed
CN-102351732-B Nuclear receptor binding agents GTX INC. (US) 2014-10-29 — — CN disclosed
CN-102702013-A Nuclear receptor binding agents GTX INC 2012-10-03 — — CN disclosed
CN-102351732-A Nuclear receptor binding agents GTX INC 2012-02-15 — — CN disclosed
CN-101336227-A Nuclear receptor binding agents GTX INC (US) 2008-12-31 — — CN disclosed
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