SCHEMBL27435389

SCHEMBL27435389

Cc1ccc(Cn2nc(C(=O)O)c(C)c2-c2ccc(Cl)c(CN)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HDAC3 O15379 2/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC7 Q8WUI4 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC10 Q969S8 2/20 0.38
▸ HDAC11 Q96DB2 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38

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
SCHEMBL27411930 0.92 CNR1 (0.49) CNR1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL8369769 0.87 CNR1 (0.58) CNR1SMN1; SMN2KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL8364838 0.86 CNR1 (0.57) CNR1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL27435381 0.81 MARS1 (0.50) CNR1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL8364939 0.79 CNR1 (0.51) CNR1SMN1; SMN2MAPTCYP2C9GCGR
SCHEMBL8369230 0.79 CNR1 (0.57) CNR1SMN1; SMN2KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL8364818 0.78 CNR1 (0.50) CNR1SMN1; SMN2MAPTCYP2C9GCGR
SCHEMBL8364836 0.78 CNR1 (0.61) CNR1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL8369103 0.78 GCGR (0.48) CNR1SMN1; SMN2CYP2C9GCGRCYP19A1
Hydrochloric Acid SCHEMBL8366437 0.77 GCGR (0.47) CNR1SMN1; SMN2CYP2C9GCGRCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1101813-C 3-pyrazolecarboxamide derivs. having cannabinoid receptor affinity SANOFI SYNTHELABO (FR) 2003-02-19 — — CN disclosed
CN-1207731-A 3-pyrazolecarboxamide derivs. having cannabinoid receptor affinity SANOFI SA (FR) 1999-02-10 — — CN disclosed
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