SCHEMBL7196412

SCHEMBL7196412

O=C(c1cnc(N2CCC(n3nnc4ccccc43)CC2)c(Cl)c1)N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
USP2 O75604 5/20 0.53
ALDH1A1 P00352 4/20 0.53
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TSHR P16473 1/20 0.48
BAP1 Q92560 1/20 0.48
CXCR3 P49682 4/20 0.47
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
JAK1 P23458 1/20 0.42
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL13648884 0.74 CXCR3 (0.55) L3MBTL1CXCR3
SCHEMBL7195135 0.73 CXCR3 (0.45) CXCR3HSD17B10
Hydrochloric Acid SCHEMBL3976856 0.73 CXCR3 (0.54) L3MBTL1CXCR3
Hydrochloric Acid SCHEMBL6821246 0.72 CYP2C9 (0.46) MEN1KMT2AALDH1A1LMNACXCR3
SCHEMBL6919706 0.72 CYP2C9 (0.45) MEN1KMT2AALDH1A1CXCR3KDM4E
SCHEMBL6826032 0.71 P2RY12 (0.49) TSHRCXCR3
SCHEMBL5751254 0.70 ALDH1A1 (0.70) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL6823744 0.69 KMT2A (0.48) KMT2AALDH1A1LMNATSHRCXCR3
SCHEMBL3100293 0.67 FPR2 (0.63) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL6922921 0.67 PLD2 (0.52)

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-2004074278-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-09-02 WO disclosed