SCHEMBL10954922

SCHEMBL10954922

O=c1[nH]c(=O)n(-c2ccc(OC(F)(F)F)cc2)c(=O)[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
SCN5A Q14524 1/20 0.44
NOTUM Q6P988 1/20 0.42
NTRK1 P04629 1/20 0.41
IGF1R P08069 1/20 0.41
FGFR1 P11362 1/20 0.41
NTRK3 Q16288 1/20 0.41
NTRK2 Q16620 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
TDP2 O95551 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE2A O00408 3/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL22864545 0.86 POLB (0.62) POLBL3MBTL1SCN5ANOTUMNR1H4
SCHEMBL14123260 0.77 ATM (0.63) POLBL3MBTL1NTRK1IGF1RFGFR1
SCHEMBL8185171 0.76 L3MBTL1 (0.72) POLBL3MBTL1SCN5ANOTUMNR1H4
SCHEMBL4922308 0.75 L3MBTL1 (0.48) POLBL3MBTL1NR1H4TDP2MEN1
SCHEMBL16657387 0.74 L3MBTL1 (0.50) POLBL3MBTL1SCN5ANTRK1TDP2
SCHEMBL4930459 0.74 L3MBTL1 (0.49) POLBL3MBTL1TDP2MEN1MAPT
SCHEMBL4947302 0.74 HSP90AA1 (0.56) POLBL3MBTL1TDP2MEN1CYP1A2
SCHEMBL10955104 0.74 POLB (0.53) POLBL3MBTL1NTRK1IGF1RFGFR1
SCHEMBL9375353 0.73 POLB (0.46) POLBL3MBTL1SCN5ANTRK1IGF1R
SCHEMBL9378690 0.73 POLB (0.46) POLBL3MBTL1SCN5ANTRK1IGF1R

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-4518761-A Process for the preparation of mixed trimers from organic isocyanates, the mixed trimers obtained according to the process and the use thereof for the production of polyurethanes BAYER AKTIENGESELLSCHAFT (DE) 1985-05-21 US disclosed