SCHEMBL10616852

SCHEMBL10616852

CC(C)c1ccc(NNC=C(C#N)C#N)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 4/20 0.32
▸ RAB9A P51151 1/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ L3MBTL1 Q9Y468 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ TRPA1 O75762 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL10616544 0.81 GABRA1 (0.44) RAB9AKMT2AGAAALDH1A1MEN1
SCHEMBL10618898 0.78 RAB9A (0.36) RAB9AKMT2AGAAALDH1A1L3MBTL1
SCHEMBL10620530 0.75 ALDH1A1 (0.48) KMT2AALDH1A1L3MBTL1MEN1MAPT
SCHEMBL10619032 0.73 TRPA1 (0.35) KMT2AGAAALDH1A1MEN1TRPA1
SCHEMBL10989651 0.72 KMT2A (0.33) RAB9AKMT2AGAAALDH1A1TRPA1
SCHEMBL10989684 0.70 KMT2A (0.31) KMT2AGAATRPA1
SCHEMBL10991268 0.70 CXCR1 (0.34) GAAALDH1A1TRPA1MAPK1
SCHEMBL10990347 0.70 GAA (0.33) GAAALDH1A1TRPA1MAPK1
SCHEMBL10992984 0.70 GAA (0.33) GAAALDH1A1TRPA1MAPK1
SCHEMBL10618418 0.69 KMT2A (0.35) RAB9AKMT2AGAA

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
EP-0083613-B1 N-PHENYLPYRAZOLE DERIVATIVES USEFUL AS HERBICIDES MAY & BAKER LIMITED (GB) 1988-06-01 — — EP disclosed
US-4629495-A Herbicidal 5-amino-4-cyano-1-phenylpyrazoles MAY & BAKER LIMITED (GB) 1986-12-16 — — US 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
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