SCHEMBL6867571

SCHEMBL6867571

Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1CC[C@@H](Nc2nccc(N(C)C)n2)CC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.50
USP2 O75604 1/20 0.50
GHSR Q92847 1/20 0.50
MAPK8 P45983 1/20 0.50
MAPK14 Q16539 1/20 0.50
HTT P42858 4/20 0.49
LMNA P02545 3/20 0.49
TSHR P16473 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.48
CYP2C19 P33261 1/20 0.47
GPBAR1 Q8TDU6 1/20 0.47
EPAS1 Q99814 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL6867574 1.00 KMT2A (0.64) KMT2ASMN1; SMN2USP2GHSRMAPK8
SCHEMBL6461553 0.91 GHSR (0.61) KMT2AGHSRMAPK8MAPK14TSHR
SCHEMBL6461560 0.91 GHSR (0.61) KMT2AGHSRMAPK8MAPK14TSHR
SCHEMBL6463041 0.88 GHSR (0.55) KMT2ASMN1; SMN2GHSRMAPK8MAPK14
SCHEMBL6463048 0.88 GHSR (0.55) KMT2ASMN1; SMN2GHSRMAPK8MAPK14
SCHEMBL13793334 0.82 KMT2A (0.61) KMT2AUSP2GHSRLMNAMAPT
SCHEMBL6463319 0.81 KMT2A (0.63) KMT2AUSP2GHSRHTTLMNA
SCHEMBL6472236 0.81 KMT2A (0.63) KMT2AUSP2GHSRHTTLMNA
SCHEMBL6460655 0.78 KMT2A (0.61) KMT2ASMN1; SMN2USP2GHSRHTT
SCHEMBL6460650 0.78 KMT2A (0.61) KMT2ASMN1; SMN2USP2GHSRHTT

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-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed