SCHEMBL11095083

SCHEMBL11095083

O=Cc1c(Cl)nc(-c2ccccc2)n1Cc1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.55
GAA P10253 1/20 0.55
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 3/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 2/20 0.40
P2RX7 Q99572 1/20 0.39
BRD4 O60885 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.36
RAB9A P51151 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
SCHEMBL11098803 0.86 IDO1 (0.43) TP53GAAALDH1A1KMT2AL3MBTL1
SCHEMBL11160756 0.84 ALDH1A1 (0.51) TP53GAAALDH1A1KMT2AMEN1
SCHEMBL11097622 0.80 ALDH1A1 (0.56) TP53GAAALDH1A1KMT2AMEN1
SCHEMBL5174047 0.78 VDR (0.41) TP53GAAALDH1A1KMT2AL3MBTL1
SCHEMBL6202033 0.78 ALDH1A1 (0.50) TP53GAAALDH1A1MAPTLMNA
SCHEMBL11098540 0.78 TP53 (0.53) TP53GAAALDH1A1KMT2AL3MBTL1
SCHEMBL11269744 0.76 TP53 (0.44) TP53GAAALDH1A1KMT2AMEN1
SCHEMBL7609717 0.74 AGTR1 (0.38)
SCHEMBL11162148 0.74 LMNA (0.49) GAAALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL11163273 0.72 ALDH1A1 (0.59) TP53GAAALDH1A1KMT2AL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0028834-B1 IMIDAZOLE-5-ACETIC ACID DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1984-01-18 EP disclosed
US-4355040-A Hypotensive imidazole-5-acetic acid derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-10-19 US disclosed