SCHEMBL10616520

SCHEMBL10616520

CCCc1ccc(NN)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ PNMT P11086 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ SIGMAR1 Q99720 7/20 0.39
▸ GAA P10253 3/20 0.38
▸ ACACB O00763 1/20 0.37
▸ CSNK2A1 P68400 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ METAP2 P50579 1/20 0.35

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
SCHEMBL10620683 0.85 CA1 (0.46) CA1CA2CA9PNMTTAAR1
SCHEMBL3274390 0.77 CA1 (0.46) CA1CA2CA9PNMTTAAR1
Hydrochloric Acid SCHEMBL28042397 0.77 CSNK2A1 (0.49) CA1CA2CA9PNMTTAAR1
SCHEMBL10616266 0.76 CA1 (0.51) CA1CA2CA9SMN1; SMN2GAA
SCHEMBL429772 0.76 PNMT (0.61) PNMTTAAR1CNR1CNR2SIGMAR1
SCHEMBL3790481 0.75 CYP3A4 (0.63) CA1CA2CA9PNMTTAAR1
SCHEMBL11841394 0.74 ACACB (0.38) CA1CA2CNR1CNR2SMN1; SMN2
SCHEMBL25186522 0.73 GAA (0.36) CNR1CNR2SMN1; SMN2GLASIGMAR1
SCHEMBL5968080 0.73 HTR2A (0.47) SIGMAR1KDM4EALDH1A1LMNA
SCHEMBL8044551 0.73 HTR2A (0.47) SIGMAR1KDM4EALDH1A1LMNA

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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