SCHEMBL13680652

SCHEMBL13680652

Cc1cccc(-c2cnc(-c3ccccc3)nc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.63
NPC1 O15118 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
NFKB1 P19838 2/20 0.63
NFKB2 Q00653 2/20 0.63
RELA Q04206 2/20 0.63
HPGDS O60760 4/20 0.49
HPGD P15428 2/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ADORA1 P30542 2/20 0.47
IDO1 P14902 1/20 0.47
METAP2 P50579 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DPP4 P27487 1/20 0.45
PSMB5 P28074 1/20 0.45

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
SCHEMBL10128364 0.91 RAB9A (0.57) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL22377002 0.89 RAB9A (0.50) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL13680651 0.82 IDO1 (0.47) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL16727393 0.82 RAB9A (0.55) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL10128400 0.81 NPC1 (0.53) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL22377049 0.81 KMO (0.49) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL11933090 0.80 NPC1 (0.75) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL13910154 0.80 NPC1 (0.75) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL13910156 0.80 NPC1 (0.75) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10091193 0.80 NPC1 (0.75) RAB9ANPC1SMN1; SMN2NFKB1NFKB2

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed