SCHEMBL8856965

SCHEMBL8856965

CCCCCc1c(C(=O)O)n(Cc2cc([N+](=O)[O-])ccc2OC)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.48
MCL1 Q07820 1/20 0.44
PLA2G2A P14555 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42
TACR1 P25103 1/20 0.42
LMNA P02545 2/20 0.42
CNR2 P34972 2/20 0.42
MAPT P10636 1/20 0.41
EDNRB P24530 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL8856992 0.76 FOLH1 (0.55) FOLH1MCL1TP53CNR2EDNRB
SCHEMBL8857072 0.76 TP53 (0.64) FOLH1MCL1TP53CNR2MAPT
SCHEMBL8857042 0.75 FOLH1 (0.70) FOLH1MCL1PLA2G2ATP53POLB
SCHEMBL5669208 0.72 CNR2 (0.54) FOLH1PLA2G2ATP53LMNACNR2
SCHEMBL8857055 0.72 FOLH1 (0.62) FOLH1MCL1TP53CNR2
SCHEMBL6219757 0.72 CNR2 (0.56) MEN1KMT2ALMNACNR2MAPT
SCHEMBL8857009 0.69 MCL1 (0.58) FOLH1MCL1TP53EDNRB
SCHEMBL8857037 0.68 FOLH1 (0.54) FOLH1MCL1PLA2G2ATP53CNR2
SCHEMBL8973826 0.67 TDP1 (0.57) MEN1KMT2ALMNAMAPT
SCHEMBL9263671 0.67 MCL1 (0.61) MCL1MEN1KMT2APOLB

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-5684032-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC, ANTIASTHMATIC AGENTS AND RESPIRATORY DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 1997-11-04 US disclosed