SCHEMBL9725178

SCHEMBL9725178

Cc1nc2ccc(O)c(N=O)c2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.43
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
KDM4E B2RXH2 6/20 0.41
HTT P42858 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 3/20 0.41
PPARG P37231 3/20 0.41
NR2E3 Q9Y5X4 3/20 0.41
NCOR2 Q9Y618 3/20 0.41
NCOA2 Q15596 2/20 0.41
NCOA1 Q15788 2/20 0.41
NCOA3 Q9Y6Q9 2/20 0.41
PTK2B Q14289 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 5/20 0.40
STAT1 P42224 1/20 0.38
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37

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
SCHEMBL8325747 0.73 RAB9A (0.43) SMN1; SMN2RAB9ANPC1KDM4EHTT
SCHEMBL15001036 0.73 RAB9A (0.57) SMN1; SMN2RAB9ANPC1KDM4EHTT
SCHEMBL30076339 0.71 MAPT (0.49) SMN1; SMN2RAB9ANPC1KDM4EHTT
SCHEMBL28991131 0.71 MAPT (0.49) SMN1; SMN2RAB9ANPC1KDM4EHTT
SCHEMBL4857995 0.71 APP (0.50) SMN1; SMN2RAB9ANPC1KDM4EHTT
SCHEMBL9735482 0.69 CDK1 (0.39) SMN1; SMN2RAB9ANPC1KDM4EALDH1A1
SCHEMBL17281453 0.68 RAB9A (0.72) SMN1; SMN2RAB9ANPC1KDM4EHTT
SCHEMBL18133621 0.66 RAB9A (0.70) SMN1; SMN2RAB9ANPC1KDM4EHTT
SCHEMBL20669009 0.66 RAB9A (0.70) SMN1; SMN2RAB9ANPC1KDM4EHTT
SCHEMBL15800150 0.65 RAB9A (0.49) SMN1; SMN2RAB9ANPC1KDM4EHTT

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
JP-4018094-A None JP disclosed
US-5114621-A INDOLINO-SPIRO-OXAZINE PHOTOCHROMIC COMPOUNDS WITH FIVE-MEMBERED RINGS, METHOD FOR THEIR PREPARATION, PHOTOCHROMIC COMPOSITIONS AND ARTICLES CONTAINING SUCH COMPOUNDS ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE (FR) 1992-05-19 US disclosed
JP-H0418094-A INDOLINO-SPIRO-OXAZINE PHOTOCHROMIC COMPOUND WITH FIVE-MEMBERED RING, PREPARATION THEREOF, AND PHOTOCHROMIC COMPOSITION AND ARTICLE CONTAINING SUCH COMPOUND ESSILOR INTERNATL (CIE GEN OPT) 1992-01-22 JP disclosed