SCHEMBL2372880

SCHEMBL2372880

O=C(NC1(c2ccccc2)CC1)c1ccnc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 3/20 0.58
ITGB1 P05556 1/20 0.50
ITGA4 P13612 1/20 0.50
PREP P48147 7/20 0.48
NSD2 O96028 1/20 0.47
SLC22A12 Q96S37 1/20 0.43
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
FAP Q12884 4/20 0.42
OPRD1 P41143 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL3308995 0.76 CXCR5 (0.64) PREP
SCHEMBL379808 0.74 CYP3A4 (0.60) ITGB1ITGA4NSD2
SCHEMBL6452631 0.74 TACR3 (1.00) TACR3KCNH2
SCHEMBL5603305 0.73 NSD2 (0.56) PREPNSD2HDAC3HDAC1HDAC2
SCHEMBL8573837 0.73 NSD2 (0.56) PREPNSD2HDAC3HDAC1HDAC2
SCHEMBL29375172 0.72 KDM4E (0.56) NSD2
SCHEMBL228713 0.72 KDM4E (0.56) NSD2
SCHEMBL14740657 0.72 PREP (0.57) TACR3PREPNSD2FAP
Hydrochloric Acid SCHEMBL28349289 0.72 NSD2 (0.55) PREPNSD2HDAC3HDAC1HDAC2
SCHEMBL30135587 0.71 NSD2 (0.62) PREPNSD2HDAC3HDAC1HDAC2

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
WO-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed