SCHEMBL5019741

SCHEMBL5019741

CC1=C(c2ccc(C(=O)Nc3c(F)cccc3F)cn2)CN(c2nnn(C)n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRACR2A Q9BSW2 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TP53 P04637 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ MAP3K5 Q99683 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33

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
SCHEMBL5019753 0.88 IL2 (0.39) KDM4EKMT2ARAB9ASMN1; SMN2MAP3K5
SCHEMBL5019608 0.88 TP53 (0.39) CRACR2AKDM4EKMT2ATP53RAB9A
SCHEMBL3825366 0.81 IL2 (0.44) KDM4EKMT2ARAB9AMAP3K5
SCHEMBL17375135 0.80 GRM5 (0.38) KDM4EKMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL5019603 0.79 KMT2A (0.39) KDM4EKMT2ATP53RAB9ASMN1; SMN2
SCHEMBL5019579 0.79 KMT2A (0.39) KDM4EKMT2ATP53RAB9ASMN1; SMN2
SCHEMBL3826508 0.79 KMT2A (0.47) KDM4EKMT2ATP53RAB9ASMN1; SMN2
SCHEMBL8186422 0.78 IL2 (0.40) KDM4EKMT2ARAB9AMAP3K5
SCHEMBL12650398 0.78 IL2 (0.40) KDM4EKMT2ARAB9AMAP3K5
SCHEMBL3824488 0.78 IL2 (0.42) KMT2AMAPT

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-2012064808-A1 TETRAZOLYL - TETRAHYDROPYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE - RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2012-05-18 — — WO disclosed
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