SCHEMBL9302662

SCHEMBL9302662

ICCOc1cccc2cccnc12

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.66
MAPT P10636 6/20 0.66
LMNA P02545 5/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
NPC1 O15118 5/20 0.62
KDM4E B2RXH2 5/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
GAA P10253 2/20 0.60
MAPK1 P28482 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
POLB P06746 2/20 0.57
ALDH1A1 P00352 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55

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
SCHEMBL3268052 0.86 RAB9A (0.66) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL21691150 0.85 RAB9A (0.60) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL3266547 0.84 RAB9A (0.65) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL6031547 0.84 KDM4E (0.79) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL29357142 0.84 KDM4E (0.79) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL10460812 0.82 RAB9A (0.71) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL2485504 0.82 MAPT (0.66) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL2487385 0.82 MAPT (0.66) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL9397239 0.82 RAB9A (0.67) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL334906 0.82 MAPT (0.66) RAB9AMAPTLMNASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5319140-A Antibiotics HOFFMANN-LA ROCHE INC. (US) 1994-06-07 US disclosed
US-5138066-A Intermediates for cephalosporins with sulfur-containing oxyimino side chain HOFFMANN-LA ROCHE, INC. (US) 1992-08-11 US disclosed
US-5073550-A Bactericides HOFFMANN-LA ROCHE INC. (US) 1991-12-17 US disclosed
US-5036064-A Antibiotics HOFFMANN-LA ROCHE INC. (US) 1991-07-30 US disclosed