SCHEMBL19805930

SCHEMBL19805930

CSc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SDHB P21912 1/20 0.57
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.48
PTGS2 P35354 3/20 0.48
PTGS1 P23219 1/20 0.48
L3MBTL1 Q9Y468 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
HSD17B10 Q99714 3/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 5/20 0.45
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.43
RAB9A P51151 2/20 0.43
MITF O75030 1/20 0.43
STAT3 P40763 1/20 0.43

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
SCHEMBL4718764 0.88 MEN1 (0.49) SDHBMEN1KMT2AMAPTPTGS2
SCHEMBL19806054 0.88 KDM4E (0.60) MEN1KMT2AMAPTL3MBTL1SMN1; SMN2
SCHEMBL20985669 0.86 KDM4E (0.61) SDHBMEN1KMT2AMAPTPTGS2
SCHEMBL22912193 0.84 SDHB (0.60) SDHBMEN1KMT2AMAPTPTGS1
SCHEMBL19805780 0.84 KDM4E (0.66) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL5592998 0.83 MAPT (0.52) MEN1KMT2AMAPTL3MBTL1TP53
SCHEMBL20985691 0.82 MEN1 (0.45) SDHBMEN1KMT2AMAPTPTGS2
SCHEMBL19805931 0.82 MEN1 (0.45) SDHBMEN1KMT2AMAPTPTGS2
SCHEMBL20985731 0.81 MEN1 (0.63) MEN1KMT2AMAPTL3MBTL1SMN1; SMN2
SCHEMBL1257981 0.80 MAPT (0.53) SDHBMEN1KMT2AMAPTPTGS2

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
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 EP disclosed
WO-2018014802-A1 APOPTOSIS INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-01-25 WO disclosed