SCHEMBL11092577

SCHEMBL11092577

O=C(O)Cc1c(Cl)nc(-c2cccc(O)c2)n1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.47
BCL2 P10415 1/20 0.44
MCL1 Q07820 1/20 0.44
TP53 P04637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
AGTR1 P30556 1/20 0.42
AGTR2 P50052 1/20 0.42
PLA2G2A P14555 3/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8954292 0.89 ALDH1A1 (0.49) BCL2MCL1ALDH1A1KDM4EHPGD
SCHEMBL11092481 0.86 AGTR1 (0.46) BCL2MCL1TP53ALDH1A1KDM4E
SCHEMBL11093449 0.86 ALDH1A1 (0.48) BCL2MCL1ALDH1A1KDM4EHPGD
SCHEMBL11093981 0.84 TLR7 (0.49) ALDH1A1PLA2G2ALMNASMN1; SMN2
SCHEMBL11090546 0.83 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDAGTR1AGTR2
SCHEMBL11091674 0.81 TP53 (0.53) TP53ALDH1A1AGTR1AGTR2LMNA
SCHEMBL11098913 0.81 CCR2 (0.50) TP53ALDH1A1KDM4EHPGDPLA2G2A
SCHEMBL6227119 0.81 ALDH1A1 (0.43) BCL2MCL1ALDH1A1AGTR1AGTR2
SCHEMBL11164690 0.81 AGTR1 (0.46) BCL2MCL1TP53ALDH1A1KDM4E
SCHEMBL7048392 0.81 AGTR1 (0.44) BCL2MCL1TP53ALDH1A1AGTR1

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