SCHEMBL12488090

SCHEMBL12488090

Cc1ccc2cc(C(=O)Cl)cnc2c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.49
▸ HPGDS O60760 9/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ MGAM O43451 1/20 0.44
▸ CYP2A6 P11509 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MITF O75030 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ KLF5 Q13887 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39

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
SCHEMBL10473057 0.85 MGAM (0.62) MAOBHPGDSALDH1A1MGAMCYP2A6
SCHEMBL30494336 0.83 HPGDS (0.66) MAOBHPGDSALDH1A1MGAMCYP2A6
SCHEMBL8001650 0.81 MAOB (0.71) MAOBHPGDSALDH1A1KDM4ENPC1
SCHEMBL17221411 0.81 MAOB (0.53) MAOBHPGDSALDH1A1KDM4ENPC1
SCHEMBL12686639 0.80 PDGFRB (0.45) MAOBHPGDSMGAM
SCHEMBL29056075 0.80 HPGDS (0.74) MAOBHPGDS
SCHEMBL336044 0.77 MGAM (0.71) HPGDSALDH1A1MGAMKDM4ENPC1
SCHEMBL8001356 0.77 HPGDS (0.70) MAOBHPGDS
SCHEMBL28028505 0.76 MAOB (0.53) MAOBHPGDSMGAMKDM4E
Hydrochloric Acid SCHEMBL7902952 0.76 MGAM (0.69) HPGDSALDH1A1MGAMKDM4ENPC1

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
WO-2012120398-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TRPM8 MODULATORS PFIZER LIMITED (GB) 2012-09-13 — — WO disclosed
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