SCHEMBL28174136

SCHEMBL28174136

Cc1nncn1Cc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.47
KCNH2 Q12809 1/20 0.46
CYP11B2 P19099 6/20 0.44
CYP11B1 P15538 5/20 0.44
CYP19A1 P11511 1/20 0.42
SLC2A1 P11166 1/20 0.41
MAPT P10636 2/20 0.41
THRB P10828 1/20 0.41
TP53 P04637 1/20 0.40
DBH P09172 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
P2RX7 Q99572 2/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL12596283 0.84 KCNH2 (0.61) KCNH2CYP11B2CYP11B1CYP19A1MAPT
SCHEMBL14476635 0.82 KCNH2 (0.46) KCNH2CYP11B2CYP11B1CYP19A1P2RX7
SCHEMBL20413799 0.79 QPCTL (0.52) KCNH2CYP11B2CYP11B1MAPTP2RX7
SCHEMBL28174173 0.79 RAB9A (0.46) SOS1CYP11B2CYP11B1CYP19A1MAPT
SCHEMBL14203996 0.79 CYP11B2 (0.44) SOS1CYP11B2CYP11B1CYP19A1MAPT
SCHEMBL28174160 0.78 HTT (0.43) SOS1CYP11B2CYP11B1CYP19A1MAPT
SCHEMBL21083579 0.78 CYP11B1 (0.41) CYP11B2CYP11B1CYP19A1P2RX7
SCHEMBL14476844 0.78 P2RX7 (0.54) KCNH2P2RX7LMNA
SCHEMBL17544790 0.76 LOXL2 (0.44) SOS1CYP11B2CYP11B1CYP19A1SLC2A1
SCHEMBL415170 0.75 P2RX7 (0.45) CYP11B2CYP11B1P2RX7KMT2A

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-107074807-A Compositions and methods for inhibiting histone demethylase 吉利德科学公司 2017-08-18 CN disclosed