SCHEMBL11095317

SCHEMBL11095317

COc1cc(-c2nc(Cl)c(CC#N)n2Cc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.52
▸ MAPT P10636 2/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ ATP4A P20648 2/20 0.46
▸ ATP4B P51164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ CSF1R P07333 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45

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
SCHEMBL11166001 0.81 ALDH1A1 (0.57) MAPTNPC1RAB9AMEN1CYP1A2
SCHEMBL11166790 0.78 ALDH1A1 (0.49) TSHRMAPTRAB9AATP4AATP4B
SCHEMBL11098284 0.78 NR1H2 (0.48) TSHRMAPTMEN1CYP1A2CYP3A4
SCHEMBL11094576 0.76 ALDH1A1 (0.40) TSHRMAPTATP4AATP4BMEN1
SCHEMBL11096714 0.75 ALDH1A1 (0.57) MAPTNPC1RAB9AATP4AATP4B
SCHEMBL6355596 0.72 MEN1 (0.56) TSHRMAPTNPC1RAB9AMEN1
SCHEMBL30028270 0.72 MEN1 (0.56) TSHRMAPTNPC1RAB9AMEN1
SCHEMBL5331858 0.71 AR (0.48) MAPTNPC1RAB9AMEN1CYP1A2
SCHEMBL10852592 0.71 FFAR4 (0.46) ATP4AATP4BCSF1R
SCHEMBL11098089 0.71 GAA (0.54) TSHRMAPTMEN1KMT2AKDM4E

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 3 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
EP-0028834-A1 Imidazole-5-acetic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-05-20 — — EP disclosed
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