SCHEMBL9570481

SCHEMBL9570481

CCc1cn2cccc(C)c2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.61
NPC1 O15118 7/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
ALDH1A1 P00352 8/20 0.58
KDM4E B2RXH2 8/20 0.58
MAPT P10636 5/20 0.58
HSD17B10 Q99714 5/20 0.58
LMNA P02545 2/20 0.58
MAPK1 P28482 2/20 0.56
POLB P06746 1/20 0.56
HPGD P15428 3/20 0.54
NPSR1 Q6W5P4 3/20 0.54
TSHR P16473 2/20 0.54
TP53 P04637 2/20 0.54
HTT P42858 1/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
GAA P10253 1/20 0.53
PKM P14618 2/20 0.50

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
SCHEMBL9570359 0.86 KDM4E (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL103116 0.86 RAB9A (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL7112860 0.84 RAB9A (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL103671 0.84 NPC1 (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL9570110 0.84 RAB9A (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL29899398 0.83 RAB9A (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL29899408 0.83 RAB9A (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL12092516 0.83 RAB9A (0.62) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL14038137 0.82 KDM4E (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL14736747 0.81 NPC1 (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E

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-5270322-A Imidazo[1,2-a]pyridines, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1993-12-14 US disclosed
EP-0555825-A1 Imidazo(1,2-a)pyridines as angiotensin-II-antagonists Dr. Karl Thomae GmbH (DE) 1993-08-18 EP disclosed