SCHEMBL8554186

SCHEMBL8554186

CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)C(c1ccc[nH]c1=O)=CC(C)(C)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.41
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL9680365 0.75 PBRM1 (0.35) ATMALDH1A1CYP3A4CYP2C9HPGD
SCHEMBL9680412 0.75 KMT2A (0.34) ATMALDH1A1HPGDNPC1RAB9A
SCHEMBL9682041 0.75 KDM4E (0.42) ATMALDH1A1HPGDNPC1RAB9A
SCHEMBL4260102 0.73 ATM (0.45) ATML3MBTL1POLBHTR2CHTR2B
SCHEMBL9682834 0.73 PDPK1 (0.39)
SCHEMBL9680947 0.70 PDPK1 (0.43) L3MBTL1POLBCA12CA9SMN1; SMN2
SCHEMBL7826302 0.69 HIF1A (0.60) ATML3MBTL1HTR2CHTR2BCA12
SCHEMBL9680374 0.68 ALDH1A1 (0.42) L3MBTL1POLBCA12CA9ALDH1A1
SCHEMBL9132454 0.67 IGF1R (0.46)
SCHEMBL20302942 0.67 CA12 (0.60) ATML3MBTL1POLBHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828733-A1 BENZOPYRANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Novartis AG (CH) 1998-03-18 EP claimed
WO-1996037490-A1 BENZOPYRANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NOVARTIS AG (CH) 1996-11-28 WO claimed