SCHEMBL2930045

SCHEMBL2930045

Cc1ccc(C(Br)C=O)cn1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
P2RX7 Q99572 3/20 0.33
KDM4E B2RXH2 1/20 0.32
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ELANE P08246 1/20 0.30
HPGDS O60760 1/20 0.30

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
SCHEMBL1842272 0.78 FDFT1 (0.35)
SCHEMBL21834709 0.78 FDFT1 (0.35)
SCHEMBL27654525 0.78 KMT2A (0.37) HDAC1HDAC6LMNAMEN1KMT2A
SCHEMBL28840466 0.77
SCHEMBL17203259 0.77 NOS3 (0.38) HDAC1HDAC6KDM4ESMN1; SMN2
SCHEMBL1919710 0.77 NAPRT (0.37) ADRA2AADRA2BADRA2CNPC1MAPT
SCHEMBL16601154 0.77
SCHEMBL15154888 0.77 CYP1A2 (0.36) HDAC1HDAC6LMNAMEN1KMT2A
SCHEMBL23539228 0.77 NNMT (0.41) LMNAMEN1KMT2AKDM4ENPC1
SCHEMBL1535156 0.77 NNMT (0.41) LMNAMEN1KMT2AKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013116182-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-08 WO disclosed
EP-2227466-A2 HETEROARYL-SUBSTITUTED PIPERIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2010-09-15 EP disclosed
WO-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 WO disclosed