SCHEMBL9953570

SCHEMBL9953570

COc1ncc(Br)cc1S(=O)(=O)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
PKM P14618 1/20 0.51
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.45
BRD4 O60885 1/20 0.44
BRD2 P25440 1/20 0.44
BRD3 Q15059 1/20 0.44

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
SCHEMBL14305923 0.81 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2KMT2AKDM4EPOLB
SCHEMBL9953391 0.81 POLB (0.54) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL9955026 0.81 TSHR (0.55) LMNAALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL743351 0.81 POLB (0.55) LMNAALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL9954777 0.81 PIK3CD (0.56) KMT2AMAPT
SCHEMBL9955406 0.79 GLA (0.42) SMN1; SMN2KMT2APOLB
SCHEMBL14247664 0.79 ALDH1A1 (0.53) LMNACYP1A2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL806779 0.79 CNR2 (0.44) SMN1; SMN2KMT2APOLB
SCHEMBL31113449 0.78 ALDH1A1 (0.74) LMNACYP1A2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL10289140 0.78 KMT2A (0.44) LMNAALDH1A1SMN1; SMN2KMT2AKDM4E

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-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed