SCHEMBL4076384

SCHEMBL4076384

O=CN1CNc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.36
HSD17B3 P37058 1/20 0.36
GAA P10253 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
BRD4 O60885 2/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OGFRL1 Q5TC84 1/20 0.31
AVPR1A P37288 1/20 0.31
EPHX2 P34913 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
SCHEMBL94614 0.81 SMN1; SMN2 (0.41) BRPF1SMN1; SMN2HSD17B3GAAMEN1
SCHEMBL5458675 0.73 BRPF1 (0.40) BRPF1SMN1; SMN2HSD17B3GAAMEN1
SCHEMBL8039565 0.72 BRPF1 (0.39) BRPF1SMN1; SMN2HSD17B3GAAMEN1
SCHEMBL6648901 0.72 EPHX2 (0.51) SMN1; SMN2GAAMEN1KMT2AKDM4E
SCHEMBL27725668 0.69 SMN1; SMN2 (0.36) SMN1; SMN2HSD17B3GAAMEN1KMT2A
SCHEMBL9521938 0.68 BRPF1 (0.41) BRPF1SMN1; SMN2HSD17B3GAAMEN1
SCHEMBL17114712 0.68 BRPF1 (0.41) BRPF1SMN1; SMN2HSD17B3GAAMEN1
SCHEMBL8304937 0.68 BRPF1 (0.41) BRPF1SMN1; SMN2HSD17B3GAAMEN1
SCHEMBL21400260 0.68 BRPF1 (0.41) BRPF1SMN1; SMN2HSD17B3GAAMEN1
SCHEMBL4265285 0.68 BRPF1 (0.41) BRPF1SMN1; SMN2HSD17B3GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009039321-A1 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-26 WO disclosed
CN-1703259-A Heterocyclic compound for stimulating or inducing hair or eyelash growth and/or for slowing down hair loss, composition containing same, and uses thereof OREAL (FR) 2005-11-30 CN disclosed
US-4035395-A Process for the preparation of ketones BAYER AKTIENGESELLSCHAFT (DT) 1977-07-12 US disclosed
US-4014889-A Process for preparing ketones BAYER AKTIENGESELLSCHAFT (DT) 1977-03-29 US disclosed