SCHEMBL7995063

SCHEMBL7995063

Cc1ccc(-c2c(C(=O)Nc3nccs3)nc(-c3cccc4ccccc34)n2Cc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
RECQL P46063 1/20 0.45
RAB9A P51151 5/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP2D6 P10635 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MGAM O43451 1/20 0.43

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
SCHEMBL7989677 0.86 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1LMNACYP1A2CYP2C9
SCHEMBL7991969 0.84 TRPV4 (0.50) SMN1; SMN2L3MBTL1LMNACYP1A2CYP2C9
SCHEMBL7987898 0.77 CYP19A1 (0.56) SMN1; SMN2L3MBTL1TSHRMEN1KMT2A
SCHEMBL6707244 0.75 RAB9A (0.48) SMN1; SMN2L3MBTL1LMNACYP1A2CYP2C9
SCHEMBL7988918 0.75 RAB9A (0.47) SMN1; SMN2L3MBTL1LMNACYP1A2CYP2C9
SCHEMBL7995289 0.73 TRPV4 (0.50) LMNARAB9ATSHRNPC1MEN1
Hydrochloric Acid SCHEMBL7977959 0.72 TRPV4 (0.49) LMNARAB9ATSHRNPC1MEN1
Hydrochloric Acid SCHEMBL7989998 0.69 ALDH1A1 (0.42) SMN1; SMN2L3MBTL1LMNARAB9APOLB
SCHEMBL7977710 0.69 RAB9A (0.52) LMNACYP1A2RAB9APOLBTSHR
SCHEMBL7991774 0.69 RAB9A (0.52) SMN1; SMN2L3MBTL1RAB9APOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed