SCHEMBL5019716

SCHEMBL5019716

CC1=C(c2ccc(NC(=O)c3cccc(Cl)c3Cl)cc2)CN(c2nnn(C)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
JAK2 O60674 1/20 0.42
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SMO Q99835 4/20 0.39
MT-CO2 P00403 3/20 0.38
MAOB P27338 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
P2RX7 Q99572 2/20 0.37
LCLAT1 Q6UWP7 1/20 0.36

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
SCHEMBL1781784 0.93 SMO (0.44) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL5019637 0.92 KMT2A (0.41) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL5019619 0.88 TYK2 (0.45) JAK2
SCHEMBL5019609 0.86 AVPR2 (0.42) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL5019638 0.86 KMT2A (0.41) RAB9ANPC1KMT2AMAPTTP53
SCHEMBL1781817 0.86 KMT2A (0.50) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL1781495 0.85 RAB9A (0.38) RAB9ANPC1MEN1KMT2AJAK2
SCHEMBL5019717 0.85 CRACR2A (0.39)
SCHEMBL5019754 0.84 GRM5 (0.40) MEN1KMT2ATP53LMNA
SCHEMBL987243 0.83 IL2 (0.43) RAB9ANPC1MEN1KMT2AJAK2

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