SCHEMBL10037133

SCHEMBL10037133

O=C(c1ncc(Oc2cccc(C(F)(F)F)c2)c2c1CCCC2)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SCN9A Q15858 1/20 0.43
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CASP1 P29466 1/20 0.41
HTT P42858 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3R2 O00459 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
PIK3R5 Q8WYR1 1/20 0.41
PIK3R3 Q92569 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL14988393 0.88 MAPT (0.42) MAPTTHRBHPGDLMNASCN9A
SCHEMBL14988394 0.88 SCN9A (0.44) MAPTTHRBHPGDLMNASCN9A
SCHEMBL14998507 0.83 USP2 (0.47) MAPTTHRBSMN1; SMN2ALDH1A1POLB
SCHEMBL14998310 0.82 KMT2A (0.46) MAPTSMN1; SMN2ALDH1A1POLBCYP3A4
SCHEMBL14998644 0.79 CNR2 (0.53) MAPTTHRBHPGDCNR2ALDH1A1
SCHEMBL14998263 0.74 TEAD1 (0.45) MAPTLMNAALDH1A1POLBCYP2C9
SCHEMBL8721793 0.73 SCN9A (0.55) MAPTSCN9APOLBLIPEKMT2A
SCHEMBL10036934 0.72 PPP1CA (0.49) MAPTALDH1A1POLBKMT2A
SCHEMBL14998441 0.70 ALDH1A1 (0.47) MAPTLMNASCN9AALDH1A1POLB
SCHEMBL15003085 0.70 ALDH1A1 (0.42) MAPTLMNAALDH1A1POLBCYP3A4

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
WO-2012014963-A1 CONDENSED RING PYRIDINE COMPOUND アステラス製薬株式会社 (JP) 2012-02-02 WO disclosed