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SCHEMBL3960143

SCHEMBL3960143

CC(C)(C(=O)Nc1ccc(C(F)(F)F)cn1)S(=O)(=O)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)no1.CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2cccs2)no1.CC(C)(C)c1csc(NC(=O)C(C)(C)S(=O)(=O)c2cccnc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 11/20 0.52
▸ CNR1 P21554 8/20 0.52
▸ MAPT P10636 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ CTPS1 P17812 1/20 0.33
▸ CTPS2 Q9NRF8 1/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ TAS1R2 Q8TE23 1/20 0.33

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
SCHEMBL3963816 0.90 CNR2 (0.42) CNR2CNR1MAPTCYP1A2CYP3A4
SCHEMBL4066158 0.76 CNR2 (0.49) CNR2CNR1CYP2C19ALDH1A1
SCHEMBL3959628 0.75 CNR2 (0.71) CNR2CNR1MAPTSMN1; SMN2RAB9A
SCHEMBL1465065 0.73 SMN1; SMN2 (0.52) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1464597 0.73 CNR2 (0.67) CNR2CNR1MAPTSMN1; SMN2RAB9A
SCHEMBL3962899 0.73 CNR2 (0.62) CNR2CNR1CYP2C19
SCHEMBL3963562 0.73 CNR2 (0.48) CNR2CNR1CTPS1CTPS2RAB9A
SCHEMBL1463577 0.72 CNR2 (0.56) CNR2CNR1MAPTCYP1A2CYP3A4
SCHEMBL1464443 0.72 CNR2 (0.62) CNR2CNR1MAPTSMN1; SMN2RAB9A
SCHEMBL1464635 0.72 CNR2 (0.56) CNR2CNR1RAB9ANPC1

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
EP-2081905-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-29 — — EP disclosed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 — — WO disclosed