SCHEMBL6622504

SCHEMBL6622504

Cc1ccccc1Nc1nc2cc[c]cc2o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1R P00736 1/20 0.52
NPC1 O15118 9/20 0.50
RAB9A P51151 9/20 0.50
SMN1; SMN2 Q16637 7/20 0.50
PKM P14618 5/20 0.50
TP53 P04637 3/20 0.50
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
IMPDH2 P12268 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 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
SCHEMBL3957488 0.82 NPC1 (0.67) C1RNPC1RAB9ASMN1; SMN2PKM
SCHEMBL8367944 0.77 NPC1 (0.55) C1RNPC1RAB9ASMN1; SMN2PKM
SCHEMBL13719127 0.73 RAB9A (0.46) C1RNPC1RAB9ASMN1; SMN2PKM
SCHEMBL27578582 0.72 RAB9A (0.69) C1RNPC1RAB9ASMN1; SMN2PKM
SCHEMBL14500973 0.72 NPC1 (0.53) C1RNPC1RAB9ASMN1; SMN2PKM
SCHEMBL16552918 0.72 ELANE (0.44)
SCHEMBL4684542 0.71 C1R (0.54) C1RNPC1RAB9ASMN1; SMN2PKM
SCHEMBL14500936 0.70 NPC1 (0.54) C1RNPC1RAB9ASMN1; SMN2PKM
SCHEMBL1298859 0.70 L3MBTL1 (0.40) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL2429466 0.69 ITGA4 (0.56) C1RNPC1RAB9ASMN1; SMN2PKM

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-1448180-A1 PARA-AMINO BENZOIC ACIDS AS INTEGRIN ANTAGONISTS Bayer HealthCare AG (DE) 2004-08-25 EP disclosed
WO-2003030889-A1 PARA-AMINO BENZOIC ACIDS AS INTEGRIN ANTAGONISTS BAYER HEALTHCARE AG (DE) 2003-04-17 WO disclosed