SCHEMBL10620683

SCHEMBL10620683

CCc1ccc(NN)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ CSNK2A1 P68400 2/20 0.37
▸ CSNK2A2 P19784 1/20 0.37
▸ CSNK2B P67870 1/20 0.37
▸ CSNK2A3 Q8NEV1 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TP53 P04637 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
SCHEMBL10616520 0.85 CA1 (0.43) CA1CA2CA9SMN1; SMN2POLB
SCHEMBL3274390 0.80 CA1 (0.46) CA1CA2CA9NPC1RAB9A
Hydrochloric Acid SCHEMBL28042397 0.80 CSNK2A1 (0.49) CA1CA2CA9CSNK2A1CSNK2A2
SCHEMBL18175744 0.80 SMN1; SMN2 (0.38) NPC1RAB9ASMN1; SMN2TRPA1POLB
SCHEMBL10618095 0.78 GAA (0.38) NPC1RAB9ASMN1; SMN2TRPA1POLB
SCHEMBL20287476 0.78 SLC6A2 (0.40) NPC1RAB9ASMN1; SMN2TRPA1CYP1A2
SCHEMBL28200146 0.78 BACE1 (0.39) CA2NPC1RAB9ASMN1; SMN2TRPA1
Hydrochloric Acid SCHEMBL20984549 0.76 KAT2B (0.41) CA2NPC1RAB9ASMN1; SMN2TRPA1
Bromide SCHEMBL20984854 0.76 BACE1 (0.38) CA2NPC1RAB9ASMN1; SMN2TRPA1
SCHEMBL25729293 0.76 CA1 (0.46) CA1CA2CA9NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0083613-B1 N-PHENYLPYRAZOLE DERIVATIVES USEFUL AS HERBICIDES MAY & BAKER LIMITED (GB) 1988-06-01 — — EP disclosed
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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