SCHEMBL28060947

SCHEMBL28060947

Oc1ccc(-c2ccnc(C3CC3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
MAPT P10636 5/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 2/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
USP7 Q93009 4/20 0.40
CDK2 P24941 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
AR P10275 1/20 0.39
BCHE P06276 1/20 0.38
ALK Q9UM73 1/20 0.37

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
SCHEMBL28135252 0.82 ADORA2A (0.52) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL7171237 0.75 POLB (0.50) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL3509699 0.74 CYP17A1 (0.35)
SCHEMBL27941436 0.73 GSK3A (0.42) MEN1KMT2AMAPTRAB9AHPGD
SCHEMBL13294782 0.73 MKNK1 (0.56) MEN1KMT2ANPC1RAB9AATM
SCHEMBL13295147 0.72 HPGDS (0.48) MEN1KMT2A
SCHEMBL210678 0.71 MEN1 (0.66) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL12821368 0.71 HSP90AA1 (0.66) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL27115085 0.71 MEN1 (0.66) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL9130502 0.70 RAB9A (0.44) MEN1KMT2AMAPTNPC1RAB9A

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
CN-103649073-B 17 α-hydroxylase/C 17,20-lyase inhibitor NOVARTIS AG (CH) 2016-04-13 CN disclosed