SCHEMBL11670620

SCHEMBL11670620

CCN(C(=O)c1ccc(C)cc1C)c1ccccc1C

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
TSHR P16473 1/20 0.56
NPSR1 Q6W5P4 2/20 0.54
CREBBP Q92793 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP3A4 P08684 2/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 2/20 0.51
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.49
GPBAR1 Q8TDU6 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.44

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
SCHEMBL11670529 0.88 MEN1 (0.60) MEN1KMT2ATSHRNPSR1CREBBP
SCHEMBL11671094 0.85 MEN1 (0.59) MEN1KMT2ATSHRNPSR1CREBBP
SCHEMBL11670786 0.83 NPSR1 (0.70) MEN1KMT2ATSHRNPSR1CREBBP
SCHEMBL11671139 0.79 MEN1 (0.56) MEN1KMT2ATSHRNPSR1CREBBP
SCHEMBL3456171 0.79 TSHR (0.75) MEN1KMT2ATSHRNPSR1CREBBP
SCHEMBL3801993 0.79 NPC1 (0.52) MEN1KMT2ANPSR1LMNAMAPT
SCHEMBL3454767 0.79 MEN1 (0.70) MEN1KMT2ATSHRNPSR1CREBBP
SCHEMBL22067852 0.79 NFE2L2 (0.43) MEN1KMT2ATP53MAPTPOLB
SCHEMBL11671063 0.78 TSHR (0.68) MEN1KMT2ATSHRNPSR1CREBBP
SCHEMBL11670995 0.78 TP53 (0.66) MEN1KMT2ATSHRNPSR1CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4039526-A PRINTING, POLYACRYLONITRILE, POLYESTERS, POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 US disclosed
US-4039539-A 1,2,4-Triazole-azo-aniline cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 US disclosed