SCHEMBL10691252

SCHEMBL10691252

CC(=O)NC1(OC#N)Cc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
CYP1A2 P05177 1/20 0.32
ADRA2A P08913 1/20 0.32
MAOA P21397 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR2B P41595 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C1 Q04828 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL13626312 0.70 ALDH1A1 (0.41) ALDH1A1MTNR1AMTNR1BCYP1A2ADRA2A
SCHEMBL14037744 0.64 HDAC9 (0.41) ALDH1A1MTNR1AMTNR1BCYP1A2ADRA2A
SCHEMBL5970889 0.63 HDAC9 (0.45) MTNR1AMTNR1BKMT2AHDAC9LMNA
SCHEMBL2464897 0.62 HDAC9 (0.44) ALDH1A1MTNR1AMTNR1BHDAC9HCAR2
SCHEMBL14968487 0.61 L3MBTL1 (0.41) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL8457160 0.61 HDAC9 (0.43) MTNR1AMTNR1BHDAC9LMNAHCAR2
SCHEMBL8295839 0.61 HDAC9 (0.38) MTNR1AMTNR1BCYP1A2ADRA2AMAOA
SCHEMBL547428 0.61 MEN1 (0.44) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL20738515 0.61 MME (0.48) ALDH1A1MTNR1AMTNR1BHDAC9LMNA
SCHEMBL14968650 0.61 NOTUM (0.36) ALDH1A1HDAC9NOTUMNPSR1

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-4783514-A Polymeric monoarylcyclobutane compositions THE DOW CHEMICAL COMPANY (US) 1988-11-08 US disclosed