SCHEMBL3834174

SCHEMBL3834174

Clc1ccccc1-c1cc(-c2c[c]ccc2)[nH]n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
ALOX15 P16050 7/20 0.52
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
HPGD P15428 6/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
NFKB1 P19838 4/20 0.52
NFKB2 Q00653 4/20 0.52
RELA Q04206 4/20 0.52
ALOX12 P18054 2/20 0.52
HSD17B10 Q99714 1/20 0.52
RAB9A P51151 5/20 0.47
NPC1 O15118 3/20 0.47
TP53 P04637 3/20 0.47
USP2 O75604 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ALPL P05186 2/20 0.46
POLB P06746 1/20 0.45
IDO1 P14902 1/20 0.43
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL8888588 0.84 RAB9A (0.65) MAPTALOX15MEN1KMT2AHPGD
SCHEMBL2113306 0.75 CYP2A6 (0.58) HPGDSMN1; SMN2RAB9ANPC1TP53
SCHEMBL2659870 0.72 HSD17B10 (0.53) MAPTALOX15MEN1KMT2AHPGD
SCHEMBL6972677 0.71 RAB9A (0.38) MAPTHPGDSMN1; SMN2HSD17B10RAB9A
SCHEMBL10357571 0.69 MEN1 (1.00) MAPTALOX15MEN1KMT2AHPGD
SCHEMBL10358211 0.69 MAPT (0.68) MAPTALOX15MEN1KMT2AHPGD
SCHEMBL1528459 0.69 ALDH1A1 (0.68) MAPTALOX15MEN1KMT2AHPGD
SCHEMBL31324688 0.67 ALPL (0.57) MAPTALOX15MEN1KMT2AHPGD
SCHEMBL3499089 0.67 ALPL (0.57) MAPTALOX15MEN1KMT2AHPGD
SCHEMBL2614354 0.67 NPC1 (0.64) MAPTALOX15MEN1KMT2AHPGD

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-2009146343-A1 NOVEL SUBSTITUTED PYRAZOLES, 1,2,4-OXADIAZOLES, AND 1,3,4-OXADIAZOLES MERCK & CO., INC. (US) 2009-12-03 WO claimed