SCHEMBL8989145

SCHEMBL8989145

CCn1c(-c2ccc(C(F)(F)F)cc2)nc(C=O)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
PIK3CD O00329 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
TDP2 O95551 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 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
SCHEMBL6652679 0.83 CFTR (0.52) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL8989205 0.81 TDP2 (0.44) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL8989105 0.79 KDM4E (0.41) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL8989227 0.78 ALDH1A1 (0.41) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL8989175 0.76 PDE2A (0.40) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL18002981 0.70 CDK2 (0.40) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL8989158 0.69 PPARD (0.47) KDM4EALDH1A1MAPTLMNAPIK3CD
SCHEMBL6631450 0.68 KMT2A (0.49) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL16398903 0.67 NPC1 (0.48) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL18003589 0.67 KDM4E (0.42) KDM4EALDH1A1SIGMAR1TDP2HSP90AA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5545645-A Heterocyclic derivatives in the treatment of ischaemia and related diseases SYNTEX PHARMACEUTICALS, LIMITED (GB) 1996-08-13 US disclosed
US-5428037-A Piperazine derivatives; calcium and sodium channel antagonists SYNTEX PHARMACEUTICALS, LTD. (GB) 1995-06-27 US disclosed