SCHEMBL6883503

SCHEMBL6883503

NC(=O)c1ccnc(N2CCN(c3ccccc3)CC2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
LMNA P02545 2/20 0.58
HSD17B10 Q99714 3/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 2/20 0.49
GLA P06280 1/20 0.49
POLB P06746 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
ALDH1A1 P00352 4/20 0.48
TSHR P16473 4/20 0.48
GAA P10253 3/20 0.48
HPGD P15428 2/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
CDK8 P49336 1/20 0.46
CDK19 Q9BWU1 1/20 0.46
SORD Q00796 1/20 0.46

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
SCHEMBL30585414 0.82 KDM4E (0.58) HTTKDM4EGLAPARP1
SCHEMBL3112205 0.82 HTT (0.58) MAPTLMNAHSD17B10HTTKDM4E
SCHEMBL9461754 0.81 ALDH1A1 (0.56) HSD17B10HTTKDM4EGLAPOLB
SCHEMBL16432179 0.79 ADRB1 (0.54) KDM4EALDH1A1PARP1
SCHEMBL9461801 0.79 PARP1 (0.43) LMNAHSD17B10HTTKDM4EGLA
SCHEMBL25294745 0.78 KDM4E (0.63) LMNAHSD17B10HTTKDM4EPOLB
SCHEMBL30338644 0.78 KDM4E (0.63) LMNAHSD17B10HTTKDM4EPOLB
SCHEMBL9461734 0.78 DKK1 (0.50) HSD17B10KDM4EALDH1A1TSHRGAA
Hydrochloric Acid SCHEMBL30338561 0.77 KDM4E (0.61) LMNAHSD17B10HTTKDM4EPOLB
Hydrochloric Acid SCHEMBL25263828 0.77 KDM4E (0.61) LMNAHSD17B10HTTKDM4EPOLB

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
WO-2004062613-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-29 WO disclosed