SCHEMBL16200409

SCHEMBL16200409

Cc1ccc(C(=O)c2cc(C)n(C)n2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BAZ2B Q9UIF8 1/20 0.47
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HTR2A P28223 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ CCR9 P51686 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NR2E1 Q9Y466 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SPR P35270 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36

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
SCHEMBL13184263 0.79 BAZ2B (0.47) BAZ2BHTR2AKDM4EKMT2ARAB9A
SCHEMBL27787704 0.78 BAZ2B (0.66) BAZ2BHTR2AKDM4EKMT2ARAB9A
SCHEMBL13184258 0.78 BAZ2B (0.53) BAZ2BKDM4EKMT2ARAB9AGAA
SCHEMBL4400941 0.76 HDAC1 (0.64) HDAC1HDAC6KDM4EKMT2ARAB9A
SCHEMBL13683138 0.74 POLB (0.43) HDAC1HDAC6KDM4EKMT2ARAB9A
SCHEMBL13683137 0.74 HDAC1 (0.43) HDAC1HDAC6HTR2AKDM4EKMT2A
SCHEMBL24307418 0.73 ALDH1A1 (0.64) HDAC1HDAC6KDM4ERAB9ANPC1
SCHEMBL13184261 0.71 BAZ2B (0.49) BAZ2BKDM4EKMT2ARAB9AGAA
SCHEMBL13683179 0.71 KDM4E (0.47) HDAC1HDAC6KDM4EKMT2ARAB9A
SCHEMBL12844484 0.70 KMT2A (0.61) HDAC1HDAC6KDM4EKMT2ARAB9A

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
EP-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 — — EP disclosed
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