SCHEMBL7947476

SCHEMBL7947476

NC(C(=O)c1ccccc1)c1ccc(N2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
PRSS1 P07477 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
AKR1C3 P42330 1/20 0.44
CYP3A4 P08684 3/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
STAT1 P42224 1/20 0.43
RAB9A P51151 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
SCHEMBL27737317 0.83 ALDH1A1 (0.52) CYP2C9CYP2C19SMN1; SMN2AKR1C3CYP3A4
SCHEMBL7947472 0.83 SMN1; SMN2 (0.43) F2F10PRSS1HRH3CYP2C9
SCHEMBL7961639 0.78 SMN1; SMN2 (0.70) HRH3CYP2C9CYP2C19SMN1; SMN2AKR1C3
SCHEMBL28099027 0.78 MAOB (0.52) CYP2C9CYP2C19SMN1; SMN2AKR1C3CYP3A4
SCHEMBL4919231 0.74 TDP1 (0.61) F2CYP2C19SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL3658372 0.74 TDP1 (0.61) F2CYP2C19SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL7947516 0.73 KDM4E (0.59) HRH3CYP2C9CYP2C19SMN1; SMN2AKR1C3
SCHEMBL3506636 0.73 ROCK2 (0.53) F2F10PRSS1SMN1; SMN2CYP3A4
SCHEMBL7956784 0.72 HIF1A (0.50) CYP2C9CYP2C19SMN1; SMN2AKR1C3ALDH1A1
SCHEMBL7956932 0.72 HIF1A (0.50) CYP2C9CYP2C19SMN1; SMN2AKR1C3ALDH1A1

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-6313127-B1 FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS ZENECA LIMITED (GB) 2001-11-06 US disclosed