SCHEMBL4739004

SCHEMBL4739004

COCCn1c(C)cc2c[c]ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 6/20 0.36
KMT2A Q03164 5/20 0.36
KDM4E B2RXH2 4/20 0.36
MEN1 O00255 4/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RAB9A P51151 4/20 0.35
MAPT P10636 3/20 0.35
NPC1 O15118 3/20 0.35
HSP90AA1 P07900 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 3/20 0.34

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
SCHEMBL3483496 0.83 MEN1 (0.45) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL3483348 0.81 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL3482974 0.79 KDM4E (0.40) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL27761685 0.79 HTR6 (0.43) HPGDALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL9581422 0.78 TP53 (0.54) HPGDALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL10753662 0.76 KDM4E (0.45) HPGDALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL3198506 0.75 GLO1 (0.39) ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10
SCHEMBL31735581 0.74 PRKCI (0.45) HPGDALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL1419488 0.73 MEN1 (0.37) HPGDALDH1A1KMT2AKDM4EMEN1
SCHEMBL21983719 0.73 KMT2A (0.40) HPGDALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008086158-A1 BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 WO claimed
WO-2008086158-A1 BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 WO disclosed