SCHEMBL11243909

SCHEMBL11243909

COC(=O)C1(F)C(=O)NC(=O)NC1Sc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
RECQL P46063 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.34
GGPS1 O95749 1/20 0.34
FDPS P14324 1/20 0.34

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
SCHEMBL11249308 0.88 POLB (0.41) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL11243593 0.74 LMNA (0.33) HSD17B10TSHRFDPS
SCHEMBL11243781 0.70 TP53 (0.37) KMT2ATSHR
SCHEMBL11233534 0.69 TP53 (0.36) KMT2A
SCHEMBL11241152 0.68 ALDH1A1 (0.38) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL11245438 0.67 TP53 (0.34)
SCHEMBL11245331 0.65 SMN1; SMN2 (0.41) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL11248698 0.63 ALDH1A1 (0.35) MEN1KMT2AALDH1A1TDP1HSD17B10
SCHEMBL15413590 0.63 TP53 (0.33)
SCHEMBL11240689 0.63 ALDH1A1 (0.37) MEN1KMT2AALDH1A1MAPTTDP1

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-4329460-A ANTICANCER AGENTS, ANTIVIRAL AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-05-11 US claimed
US-4329460-A ANTICANCER AGENTS, ANTIVIRAL AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-05-11 US disclosed