SCHEMBL9558609

SCHEMBL9558609

CCON=CCc1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
DPP4 P27487 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 2/20 0.36
PLA2G1B P04054 1/20 0.36
GAA P10253 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
HSD17B10 Q99714 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
POLB P06746 1/20 0.34
CASP6 P55212 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL9558559 1.00 HPGD (0.38) HPGDDPP4TAAR1ADRA2AADRA2B
SCHEMBL9744645 0.87 ALDH1A1 (0.38) HPGDTAAR1ADRA2AADRA2BADRA2C
SCHEMBL9557896 0.84 ALDH1A1 (0.45) HPGDTAAR1RAB9ANPC1PLA2G1B
SCHEMBL7878676 0.82 TAAR1 (0.38) DPP4TAAR1ADRA2AADRA2BADRA2C
SCHEMBL9558342 0.78 SMN1; SMN2 (0.40) HPGDTAAR1ADRA2AADRA2BADRA2C
SCHEMBL6983491 0.78 CYP2C19 (0.42) HPGDRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL24922344 0.76
SCHEMBL6983487 0.76 POLB (0.41) HPGDADRA2AADRA2BADRA2CRAB9A
SCHEMBL15347875 0.76 POLB (0.41) HPGDADRA2AADRA2BADRA2CRAB9A
SCHEMBL10796125 0.73 TAAR1 (0.39) HPGDDPP4TAAR1ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0245835-B1 NOVEL THIOPHENE DERIVATIVES AND METHODS FOR PRODUCING THE SAME SEITETSU KAGAKU CO., LTD. (JP) 1993-05-05 EP disclosed
US-5101049-A Novel thiophene derivatives and methods for producing the same SEITETSU KAGAKU CO., LTD. (JP) 1992-03-31 US disclosed
US-4792612-A MEDICINE INTERMEDIATES SEITETSU KAGAKU CO., LTD. (JP) 1988-12-20 US disclosed
EP-0245835-A2 Novel thiophene derivatives and methods for producing the same SEITETSU KAGAKU CO., LTD. (JP) 1987-11-19 EP disclosed