SCHEMBL10987624

SCHEMBL10987624

Cc1c(Cl)ccc(NNC=C(C#N)C#N)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ RAB9A P51151 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL10989651 0.88 KMT2A (0.33) KMT2AGAATRPA1RAB9AALDH1A1
SCHEMBL10619032 0.86 TRPA1 (0.35) KMT2AGAATRPA1ALDH1A1MAPK1
SCHEMBL10992684 0.85 KMT2A (0.31) KMT2AGAAALDH1A1KDM4E
SCHEMBL10989684 0.85 KMT2A (0.31) KMT2AGAATRPA1
SCHEMBL10990347 0.82 GAA (0.33) GAATRPA1ALDH1A1MAPK1
SCHEMBL10987706 0.82 KMT2A (0.33) KMT2AGAAMAPK1KDM4E
SCHEMBL10991268 0.82 CXCR1 (0.34) GAATRPA1ALDH1A1MAPK1
SCHEMBL10618418 0.81 KMT2A (0.35) KMT2AGAARAB9AKDM4E
SCHEMBL10989450 0.79 KMT2A (0.31) KMT2AGAA
SCHEMBL10992984 0.79 GAA (0.33) GAATRPA1ALDH1A1MAPK1

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-0034945-B1 N-PHENYLPYRAZOLE DERIVATIVES MAY & BAKER LIMITED (GB) 1985-08-07 — — EP disclosed
US-4496390-A WEED-CONTRTOLLING HERBICIDES MAY & BAKER LIMITED (GB) 1985-01-29 — — US disclosed
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