SCHEMBL11226201

SCHEMBL11226201

CCOc1ccc2nc3cc(N)cc(N)c3cc2c1OC(=O)C(C)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.49
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CASP1 P29466 2/20 0.49
CASP7 P55210 2/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
TERT O14746 1/20 0.39
ABCB11 O95342 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.36
CREBBP Q92793 1/20 0.36

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
SCHEMBL8355586 0.86 KDM4E (0.43) HSD17B10KDM4EALDH1A1HPGDMEN1
SCHEMBL138155 0.81 MAPT (0.58) HSD17B10KDM4EALDH1A1HPGDMEN1
Water SCHEMBL6900162 0.81 MAPT (0.57) HSD17B10KDM4EALDH1A1HPGDMEN1
SCHEMBL11047770 0.77 MEN1 (0.47) HSD17B10KDM4EALDH1A1HPGDMEN1
Lactic Acid SCHEMBL11226196 0.76 HSD17B10 (0.68) HSD17B10KDM4EALDH1A1HPGDMEN1
SCHEMBL11608363 0.73 MEN1 (0.63) HSD17B10KDM4EALDH1A1HPGDMEN1
SCHEMBL11431835 0.69 MEN1 (0.53) HSD17B10KDM4EALDH1A1HPGDMEN1
SCHEMBL20856778 0.67 KMT2A (0.59) HSD17B10KDM4EALDH1A1HPGDMEN1
Ethacridine SCHEMBL30775016 0.66 MEN1 (1.00) HSD17B10KDM4EALDH1A1HPGDMEN1
Ethacridine SCHEMBL30006678 0.66 MEN1 (1.00) HSD17B10KDM4EALDH1A1HPGDMEN1

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-4348316-A IMMUNOSUPPRESSIVE AGENT BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1982-09-07 US disclosed