SCHEMBL21441034

SCHEMBL21441034

CCN(CC)CCn1c2ccc(F)cc2c2cc(C(=O)CCC(=O)c3ccc4c(c3)c3cc(C(C)=O)c(OCc5cc(OC)c6c7cc(C(C)=O)ccc7n(CCN(CC)CC)c6c5)cc3n4CCN(CC)CC)ccc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.38
▸ GAA P10253 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ MCHR1 Q99705 4/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CCNT1 O60563 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ CCNA1 P78396 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL12608666 0.80 MCHR1 (0.45) CNR2ALDH1A1MCHR1MEN1KMT2A
SCHEMBL12608664 0.76 CNR2 (0.46) CNR2ALDH1A1SCN9AMAPTTHRB
SCHEMBL21441047 0.75 CNR2 (0.34) CNR2ALDH1A1MCHR1MEN1KMT2A
SCHEMBL12608663 0.74 CNR2 (0.44) CNR2ALDH1A1MCHR1MEN1KMT2A
SCHEMBL12608660 0.73 CNR2 (0.43) CNR2ALDH1A1MEN1KMT2AMAPT
SCHEMBL20828077 0.72 KDM4E (0.41) ALDH1A1MEN1KMT2AMAPTTP53
SCHEMBL12608658 0.72 CNR2 (0.44) CNR2ALDH1A1MCHR1MEN1KMT2A
SCHEMBL12608659 0.71 CNR2 (0.44) CNR2ALDH1A1MCHR1TP53POLB
SCHEMBL12608665 0.71 CNR2 (0.45) CNR2ALDH1A1MEN1KMT2AMAPT
SCHEMBL12608637 0.70 CNR2 (0.51) CNR2ALDH1A1MEN1KMT2AMAPT

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
EP-2294186-B1 INDUCING CELL DEATH BY INHIBITING ADAPTIVE HEAT SHOCK RESPONSE INCURON INC (US) 2019-10-09 — — EP disclosed
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