SCHEMBL7536855

SCHEMBL7536855

CC1(C)CCc2c([C@@H]3C[C@H]3c3ccccc3)nn(-c3nc4ccccc4s3)c2C1C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 7/20 0.34
RAB9A P51151 7/20 0.34
SMN1; SMN2 Q16637 6/20 0.34
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.34
TP53 P04637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DPP4 P27487 2/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31

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
SCHEMBL6164587 0.82 NPSR1 (0.35) MAPK1MEN1KMT2ANPC1RAB9A
SCHEMBL6164591 0.82 NPSR1 (0.35) MAPK1MEN1KMT2ANPC1RAB9A
SCHEMBL6163715 0.78 NPSR1 (0.35) MAPK1MEN1KMT2ANPC1RAB9A
SCHEMBL6163719 0.78 NPSR1 (0.35) MAPK1MEN1KMT2ANPC1RAB9A
SCHEMBL6183768 0.70 ALDH1A1 (0.38) MAPK1MEN1KMT2ANPC1RAB9A
SCHEMBL6164948 0.69 MAPT (0.45) MAPK1MEN1KMT2ANPC1RAB9A
SCHEMBL6164128 0.66 MEN1 (0.39) MAPK1MEN1KMT2ANPC1RAB9A
SCHEMBL6183323 0.66 ALDH1A1 (0.37) MAPK1MEN1KMT2ANPC1RAB9A
SCHEMBL6163676 0.65 ALDH1A1 (0.39) MAPK1MEN1KMT2ANPC1RAB9A
SCHEMBL6166651 0.64 SMN1; SMN2 (0.38) MAPK1MEN1KMT2ANPC1RAB9A

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-1177185-A1 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2002-02-06 EP disclosed
WO-2000069846-A1 4,5,6,7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-11-23 WO disclosed