SCHEMBL9737283

SCHEMBL9737283

Cc1ccc(-c2nn3cccnc3c2CC(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.47
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 2/20 0.44
GFER P55789 2/20 0.44
PTGS2 P35354 1/20 0.41
MYC P01106 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
APOBEC3A P31941 1/20 0.41
AURKA O14965 1/20 0.40
KDR P35968 1/20 0.40
AURKB Q96GD4 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
SCHEMBL9737699 0.90 PTGDR2 (0.46) PTGDR2KDM4EPTGS2ALDH1A1APOBEC3A
SCHEMBL9737491 0.89 PTGS2 (0.41) PTGDR2KDM4EGFERPTGS2MYC
SCHEMBL9737634 0.88 KDM4E (0.48) PTGDR2KDM4EALDH1A1APOBEC3A
SCHEMBL9737572 0.87 TSPO (0.45) LMNAKDM4EPTGS2MYCALDH1A1
SCHEMBL9737185 0.87 KCNQ3 (0.41) KDM4EPTGS2MYCALDH1A1
SCHEMBL9737163 0.86 ALDH1A1 (0.43) LMNAKDM4EPTGS2MYCALDH1A1
SCHEMBL9738542 0.84 TSPO (0.44) LMNAPOLB
SCHEMBL9737222 0.83 MYC (0.39) PTGDR2PTGS2MYCRAB9AALDH1A1
SCHEMBL18116342 0.80 HTR1B (0.44) LMNA
SCHEMBL9737130 0.80 L3MBTL1 (0.48) LMNAKDM4EALDH1A1

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-5114944-A Anxiolytic and anticonvulsant agents; muscle relaxants A. H. ROBINS COMPANY INCORPORATED (US) 1992-05-19 US disclosed