SCHEMBL10997156

SCHEMBL10997156

CCCc1ccc(NNC=C(C#N)C#N)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.36
▸ RAB9A P51151 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ BCL2A1 Q16548 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CTDSP1 Q9GZU7 1/20 0.31
▸ ACACB O00763 4/20 0.31
▸ METAP2 P50579 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NCEH1 Q6PIU2 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
SCHEMBL10618898 0.89 RAB9A (0.36) GAARAB9AKDM4EALDH1A1POLB
SCHEMBL10616544 0.79 GABRA1 (0.44) GAARAB9AKDM4EALDH1A1POLB
SCHEMBL10618076 0.73 — —
SCHEMBL10620530 0.73 ALDH1A1 (0.48) KDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL10618418 0.72 KMT2A (0.35) GAARAB9AKDM4EMETAP2
SCHEMBL6213922 0.72 MAPK1 (0.49) GAARAB9AKDM4EALDH1A1LMNA
SCHEMBL10619032 0.71 TRPA1 (0.35) GAAKDM4EALDH1A1POLBLMNA
SCHEMBL10989651 0.71 KMT2A (0.33) GAARAB9AKDM4EALDH1A1
SCHEMBL10987624 0.71 KMT2A (0.33) GAARAB9AKDM4EALDH1A1
SCHEMBL10616520 0.69 CA1 (0.43) GAACNR1CNR2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4496390-A WEED-CONTRTOLLING HERBICIDES MAY & BAKER LIMITED (GB) 1985-01-29 — — US disclosed
US-4459150-A 5-Acylamino-4-cyano-1-phenylpyrazole derivatives and use as herbicides MAY & BAKER LIMITED (GB) 1984-07-10 — — US disclosed
EP-0083613-A1 N-PHENYLPYRAZOLE DERIVATIVES USEFUL AS HERBICIDES. MAY & BAKER LTD (GB) 1983-07-20 — — EP disclosed
WO-1983000332-A1 N-PHENYLPYRAZOLE DERIVATIVES USEFUL AS HERBICIDES MAY & BAKER LTD (GB) 1983-02-03 — — WO disclosed
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