SCHEMBL9735482

SCHEMBL9735482

O=Nc1c(O)ccc2ncsc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 15/20 0.39
CDK2 P24941 15/20 0.39
CCNA2 P20248 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.31

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
SCHEMBL3902435 0.72 CDK1 (0.33) CDK1CDK2CCNA2L3MBTL1KDM4E
SCHEMBL19737877 0.71 ERN1 (0.47) CDK1CDK2CCNA2L3MBTL1KDM4E
SCHEMBL2722669 0.71 ALDH1A1 (0.46) CDK1CDK2CCNA2L3MBTL1KDM4E
SCHEMBL9725178 0.69 SMN1; SMN2 (0.43) KDM4ENPC1RAB9ATDP1ALDH1A1
SCHEMBL3173531 0.68 CDK1 (0.33) CDK1CDK2L3MBTL1KDM4ENPC1
SCHEMBL5540111 0.68 NPC1 (0.33) CDK1CDK2CCNA2L3MBTL1KDM4E
SCHEMBL29806829 0.67 ALDH1A1 (0.45) CDK1CDK2CCNA2L3MBTL1KDM4E
SCHEMBL2093035 0.67 ALDH1A1 (0.45) CDK1CDK2CCNA2L3MBTL1KDM4E
SCHEMBL27503817 0.66 CDK1 (0.30) CDK1CDK2CCNA2NPC1RAB9A
SCHEMBL30274237 0.66 GAA (0.38) KDM4EALDH1A1POLBHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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