SCHEMBL9601039

SCHEMBL9601039

OCCCSc1ncccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
MAPT P10636 4/20 0.49
HSD17B10 Q99714 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HTT P42858 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
MAPK1 P28482 3/20 0.44
KDM1A O60341 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 3/20 0.42

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
SCHEMBL4685958 0.91 ALDH1A1 (0.49) NPC1RAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL4686194 0.86 RAB9A (0.48) NPC1RAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL4325251 0.85 ALDH1A1 (0.58) NPC1RAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL10968197 0.79 NUDT1 (0.41) NPC1RAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL9039622 0.79 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL11360935 0.77 MEN1 (0.50) NPC1RAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL9435490 0.77 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL7812101 0.77 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL423622 0.77 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL3749399 0.77 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPTHSD17B10

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
EP-0232623-B1 1-CARBACEPHALOSPORIN ANTIBIOTICS ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed
US-4892942-A 1-CARBA (DETHIA)CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1990-01-09 US disclosed
US-4791106-A 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1988-12-13 US disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 EP disclosed