SCHEMBL5756985

SCHEMBL5756985

Clc1cccc(-c2c[c]c3ccccc3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 5/20 0.43
NR1I3 Q14994 1/20 0.43
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
IDO1 P14902 1/20 0.41
MAP4K4 O95819 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TACR3 P29371 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
SCHEMBL4907021 0.82 NPC1 (0.53) ACP1KDM4ELMNAMEN1NPC1
SCHEMBL234452 0.81 ACHE (0.47) ALDH1A1KDM4ELMNAMEN1RAB9A
SCHEMBL28041065 0.81 POLB (0.42) ACP1ALDH1A1KDM4EHTTMEN1
SCHEMBL5757636 0.81 ADORA2A (0.46) ACP1KDM4ELMNAMEN1KMT2A
SCHEMBL29133411 0.78 DHODH (0.46) ALDH1A1KDM4ELMNAHTTMEN1
SCHEMBL28247011 0.78 CTSS (0.46) ALDH1A1KDM4EIDO1
SCHEMBL27471958 0.78 NPC1 (0.42) ALDH1A1KDM4ELMNAMEN1NPC1
SCHEMBL4875167 0.77 MAPT (0.46) ALDH1A1KDM4ELMNAHTTMEN1
SCHEMBL12080072 0.76 GRM2 (0.39) ACP1NPC1RAB9ASMN1; SMN2
SCHEMBL27470529 0.75 NPC1 (0.56) ALDH1A1KDM4ELMNAHTTMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664023-A1 SUSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-06-07 EP disclosed
EP-1664027-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-06-07 EP disclosed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP disclosed
WO-2005021533-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2005-03-10 WO disclosed
WO-2005021532-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2005-03-10 WO disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 WO disclosed