SCHEMBL8368110

SCHEMBL8368110

Cc1ccc(CCCn2nc(C(=O)Cl)cc2-c2ccc(Cl)c(C)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 13/20 0.49
▸ CNR1 P21554 5/20 0.47
▸ SMPD1 P17405 1/20 0.41
▸ RPA1 P27694 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ MARS1 P56192 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ TP53 P04637 1/20 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
SCHEMBL8369248 0.93 CNR2 (0.50) CNR2CNR1RPA1HDAC3HDAC4
SCHEMBL8366459 0.91 RPA1 (0.49) CNR2CNR1SMPD1RPA1MARS1
SCHEMBL5903036 0.88 CNR2 (0.59) CNR2CNR1RPA1HDAC3HDAC4
SCHEMBL8369627 0.84 CNR2 (0.44) CNR2CNR1SMPD1RPA1HDAC6
SCHEMBL8368933 0.84 RPA1 (0.51) CNR2CNR1RPA1HDAC3HDAC4
SCHEMBL8368125 0.81 RPA1 (0.49) CNR2CNR1SMPD1RPA1HDAC3
SCHEMBL5902998 0.78 CNR2 (0.57) CNR2CNR1RPA1HDAC3HDAC4
SCHEMBL8313106 0.77 CNR2 (0.56) CNR2CNR1RPA1HDAC3HDAC4
Hydrochloric Acid SCHEMBL8369717 0.77 CNR2 (0.56) CNR2CNR1RPA1HDAC3HDAC4
SCHEMBL8369218 0.76 RPA1 (0.51) CNR2CNR1RPA1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5925768-A ANTIINFLAMMATORY AGENTS; ANALGESICS, ANTICOAGULANTS, NARCOTICS SANOFI (FR) 1999-07-20 — — US disclosed
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