SCHEMBL7278079

SCHEMBL7278079

Cc1ccc2c(c1)c(C(=O)CCN(C)C)cn2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MITF O75030 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
STAT6 P42226 1/20 0.40
P2RY12 Q9H244 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39

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
Hydrochloric Acid SCHEMBL7278455 0.99 LMNA (0.43) LMNAKMT2AALDH1A1MITFMAPT
SCHEMBL7278172 0.86 ALDH1A1 (0.46) LMNAKMT2AALDH1A1MITFMAPT
Hydrochloric Acid SCHEMBL7278265 0.85 ALDH1A1 (0.45) LMNAKMT2AALDH1A1MITFMAPT
SCHEMBL7284341 0.84 HTR6 (0.60) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL7278546 0.83 ALDH1A1 (0.64) LMNAKMT2AALDH1A1MITFMAPT
Hydrochloric Acid SCHEMBL7286402 0.82 HTR6 (0.57) KMT2AALDH1A1HSD17B10CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7286398 0.82 HTR6 (0.57) KMT2AALDH1A1HSD17B10CYP1A2CYP3A4
Iodomethane SCHEMBL7279016 0.81 ALDH1A1 (0.61) LMNAKMT2AALDH1A1MITFMAPT
SCHEMBL7392214 0.78 LMNA (0.42) LMNAKMT2AALDH1A1MITFMAPT
SCHEMBL30622587 0.76 KMT2A (0.56) LMNAKMT2AALDH1A1MEN1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4814344-A ANTIEMENTICS, ANTIPSYCHOTICS GLAXO GROUP LIMITED 1989-03-21 US disclosed
EP-0266899-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1988-05-11 EP disclosed