SCHEMBL7830290

SCHEMBL7830290

COc1ccc(-c2c(C(=O)O)c(C(=S=O)c3nc4ccccc4[nH]3)nc3cc(OC)c(OC)cc23)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.43
▸ HPGD P15428 2/20 0.43
▸ PKM P14618 2/20 0.41
▸ GUSB P08236 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ DHODH Q02127 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL7836205 0.89 TUBB4A (0.44) PDE10AHPGDPKMSMN1; SMN2TP53
SCHEMBL7831401 0.77 SMN1; SMN2 (0.54) HPGDSMN1; SMN2NPC1TP53RAB9A
SCHEMBL7835666 0.76 ALDH1A1 (0.36) HPGDSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL7830294 0.74 AMY1A (0.40) PDE10AHPGDPKMGUSBSMN1; SMN2
SCHEMBL8491272 0.72 SMN1; SMN2 (0.39) PDE10AHPGDGUSBSMN1; SMN2NPC1
SCHEMBL8495848 0.71 ALDH1A1 (0.47) HPGDGUSBSMN1; SMN2NPC1MEN1
SCHEMBL7808062 0.71 GAA (0.56) SMN1; SMN2MEN1KMT2ADHODHTSHR
SCHEMBL14917022 0.70 PDE5A (0.48) HPGDGUSBSMN1; SMN2NPC1MEN1
SCHEMBL7834113 0.70 SMN1; SMN2 (0.52) SMN1; SMN2NPC1TP53RAB9AMEN1
SCHEMBL7821021 0.70 MAPK1 (0.53) HPGDGUSBSMN1; SMN2TSHRKDM4E

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
EP-0567107-B1 Quinoline and quinazoline derivatives for treating arthritis TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-11-21 — — EP claimed
Send feedback