SCHEMBL11488552

SCHEMBL11488552

CCCNC(=O)NSc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 1/20 0.43
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
EPHX1 P07099 1/20 0.40
ALOX12 P18054 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL11222134 0.80 LMNA (0.44) SMN1; SMN2LMNARAB9ANPC1TP53
SCHEMBL4055814 0.78 SMN1; SMN2 (0.49) SMN1; SMN2LMNARAB9ANPC1TP53
SCHEMBL22289535 0.76 EPHX1 (0.45) HTTLMNARAB9ANPC1MEN1
Hydrochloric Acid SCHEMBL27355891 0.74 ALDH1A1 (0.49) SMN1; SMN2HTTLMNARAB9ANPC1
SCHEMBL9373413 0.74 LMNA (0.53) SMN1; SMN2HTTLMNARAB9ANPC1
SCHEMBL10347562 0.74 ALDH1A1 (0.50) SMN1; SMN2LMNARAB9ANPC1TP53
SCHEMBL10985519 0.74 SMN1; SMN2 (0.83) SMN1; SMN2HTTLMNARAB9ANPC1
SCHEMBL18519252 0.73 HPGD (0.53) SMN1; SMN2HTTLMNARAB9ANPC1
SCHEMBL8388703 0.73 SMN1; SMN2 (0.63) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL249336 0.73 EHMT2 (0.47) SMN1; SMN2LMNARAB9ANPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4203897-A Penam derivatives FUJISAWA PHARMACEUTICAL COMPANY, LIMITED (JP) 1980-05-20 US disclosed
US-4084049-A CEPHALOSPORIN ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-04-11 US disclosed
US-3954732-A BACTERICIDAL PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-05-04 US disclosed