SCHEMBL10462004

SCHEMBL10462004

CCCc1ccc(-c2cn[c]cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.44
RAB9A P51151 8/20 0.44
NPC1 O15118 6/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 6/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
MITF O75030 1/20 0.40
KLF5 Q13887 1/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
MAPK1 P28482 1/20 0.40
THRB P10828 2/20 0.39

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
SCHEMBL10462485 0.91 RAB9A (0.52) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL10461455 0.89 RAB9A (0.52) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL10461128 0.89 RAB9A (0.52) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL10462990 0.89 RAB9A (0.52) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL10462380 0.88 METAP2 (0.46) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL9620664 0.74 SMN1; SMN2 (0.71) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL2438644 0.74 MAPK1 (0.41) SMN1; SMN2RAB9ANPC1MAPTL3MBTL1
SCHEMBL1897563 0.74 BCHE (0.46) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL31140242 0.74 CYP2D6 (0.61) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL482024 0.74 RAB9A (0.39) SMN1; SMN2RAB9ANPC1MAPTL3MBTL1

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
US-4913837-A Heterocyclic compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-04-03 US disclosed