SCHEMBL7708737

SCHEMBL7708737

CC1(c2cccs2)C(C#N)C(=O)NC(=O)C1C#N

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HCAR2 Q8TDS4 1/20 0.38
PGR P06401 2/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.32
HPGD P15428 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
SCHEMBL7711516 0.73 MMP2 (0.39) HSD17B10HCAR2ALDH1A1KDM4EMAPT
SCHEMBL7711510 0.70 MCL1 (0.36) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL7708734 0.69 MGAT2 (0.38) ALDH1A1MAPTDDB1CRBN
SCHEMBL7711504 0.69 MMP2 (0.39) MEN1KMT2AHSD17B10ALDH1A1KDM4E
SCHEMBL7713927 0.69 HCAR2 (0.38) MEN1KMT2AHCAR2PGRALDH1A1
SCHEMBL7712056 0.68 MMP2 (0.42) MEN1KMT2APGRALDH1A1KDM4E
SCHEMBL7711508 0.68 MGAT2 (0.36) HSD17B10RAB9A
SCHEMBL7711634 0.68 KMT2A (0.37) KMT2AHSD17B10ALDH1A1KDM4EHTT
SCHEMBL7711524 0.68 CYP19A1 (0.39) PGRMAPTDDB1CRBN
SCHEMBL17047772 0.68 HCAR2 (0.37) MEN1KMT2AHSD17B10HCAR2ALDH1A1

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-6365311-B1 THERMAL STABILITY; LOW COLOR; ABSENCE OF ENVIRONMENTALLY UNDESIRABLE TOXIC METALS; POLYETHERIFIED BISPHENOL A FUMARATE BINDER; POLYSILOXANE COATED STRONTIUM FERRITE CARRIER EASTMAN KODAK COMPANY 2002-04-02 US disclosed