SCHEMBL5019577

SCHEMBL5019577

CC1=C(c2ccc(NC(=O)c3cccc(F)c3F)cc2)CN(c2nnn(CC(C)C)n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
JAK1 P23458 1/20 0.36
AURKA O14965 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
MAP3K5 Q99683 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AVPR2 P30518 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
MCL1 Q07820 1/20 0.35
LCLAT1 Q6UWP7 1/20 0.34

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
SCHEMBL5019621 0.91 KDM4E (0.38) KDM4EALDH1A1RAB9AHPGDHSD17B10
SCHEMBL5019626 0.91 KDM4E (0.37) KDM4EALDH1A1RAB9AHPGDHSD17B10
SCHEMBL5019751 0.89 RAB9A (0.38) KDM4EALDH1A1RAB9AHPGDMEN1
SCHEMBL5019600 0.88 JAK1 (0.37) KDM4EALDH1A1RAB9AHSD17B10MEN1
SCHEMBL5019638 0.88 KMT2A (0.41) ALDH1A1RAB9AKMT2ASMN1; SMN2POLB
SCHEMBL5031237 0.83 AURKA (0.44) KDM4EALDH1A1RAB9AMEN1KMT2A
SCHEMBL5019601 0.82 SMN1; SMN2 (0.37) KDM4EALDH1A1RAB9AHPGDHSD17B10
SCHEMBL5019681 0.81 SMN1; SMN2 (0.36) KDM4EALDH1A1RAB9AHPGDHSD17B10
SCHEMBL5019609 0.81 AVPR2 (0.42) KDM4EALDH1A1RAB9AMEN1KMT2A
SCHEMBL1781817 0.81 KMT2A (0.50) KDM4EALDH1A1RAB9AMEN1KMT2A

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