SCHEMBL8046115

SCHEMBL8046115

Cc1ccc(-c2cc(C(=O)O)nn2Cc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RPA1 P27694 5/20 0.63
▸ MARS1 P56192 6/20 0.57
▸ PPP1CA P62136 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ P2RY14 Q15391 5/20 0.52
▸ HDAC3 O15379 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ HDAC9 Q9UKV0 1/20 0.50
▸ HDAC5 Q9UQL6 1/20 0.50
▸ NCOR2 Q9Y618 1/20 0.50
▸ MALT1 Q9UDY8 1/20 0.50
▸ MGLL Q99685 1/20 0.48

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
Hydrochloric Acid SCHEMBL8369220 0.99 RPA1 (0.62) RPA1MARS1PPP1CASMN1; SMN2P2RY14
SCHEMBL8369101 0.94 RPA1 (0.61) RPA1MARS1PPP1CASMN1; SMN2P2RY14
SCHEMBL8369875 0.92 MARS1 (0.56) RPA1MARS1PPP1CASMN1; SMN2P2RY14
SCHEMBL8369218 0.90 RPA1 (0.51) RPA1MARS1PPP1CASMN1; SMN2P2RY14
SCHEMBL8369153 0.89 MARS1 (0.53) RPA1MARS1PPP1CAMALT1
SCHEMBL8366452 0.89 RPA1 (0.50) RPA1MARS1PPP1CASMN1; SMN2P2RY14
SCHEMBL3683277 0.88 PPP1CA (0.52) RPA1MARS1PPP1CAMALT1
SCHEMBL8369874 0.88 RPA1 (0.61) RPA1MARS1PPP1CASMN1; SMN2P2RY14
SCHEMBL5902998 0.88 CNR2 (0.57) RPA1MARS1PPP1CASMN1; SMN2P2RY14
SCHEMBL8368094 0.87 HDAC3 (0.50) RPA1MARS1SMN1; SMN2P2RY14HDAC3

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-0868420-B1 3-PYRAZOLECARBOXAMIDE DERIVATIVES HAVING CANNABINOID RECEPTOR AFFINITY SANOFI SYNTHELABO (FR) 2000-03-29 — — EP disclosed
US-5925768-A ANTIINFLAMMATORY AGENTS; ANALGESICS, ANTICOAGULANTS, NARCOTICS SANOFI (FR) 1999-07-20 — — US disclosed
EP-0885889-A2 Process for the preparation of pyrazole-3-carboxylic acids SANOFI (FR) 1998-12-23 — — EP disclosed
EP-0868420-A1 3-PYRAZOLECARBOXAMIDE DERIVATIVES HAVING CANNABINOID RECEPTOR AFFINITY SANOFI (FR) 1998-10-07 — — EP disclosed
WO-1997021682-A1 3-PYRAZOLECARBOXAMIDE DERIVATIVES HAVING CANNABINOID RECEPTOR AFFINITY SANOFI (FR) 1997-06-19 — — WO disclosed
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