SCHEMBL9832162

SCHEMBL9832162

O=C(Oc1ccn(-c2cccc(C(F)(F)F)c2)n1)OC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.40
CCR2 P41597 1/20 0.40
CYP2C9 P11712 1/20 0.39
NOTUM Q6P988 3/20 0.39
AADAT Q8N5Z0 1/20 0.38
LMNA P02545 2/20 0.38
EPHX2 P34913 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSK P43235 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL9682508 0.84 CYP2C19 (0.46) CYP1A2CYP3A4CYP2C19MAPTMEN1
SCHEMBL9830089 0.78 POLB (0.41) MAPTMEN1KMT2APOLBCCR2
SCHEMBL9681632 0.70 ATM (0.45) CYP2C19MAPTMEN1KMT2AALDH1A1
SCHEMBL14495367 0.67 EPHX2 (0.57) CYP1A2CYP3A4CYP2C19MAPTMEN1
SCHEMBL28770108 0.67 CYP2C19 (0.40) CYP1A2CYP3A4CYP2C19MAPTMEN1
SCHEMBL518604 0.66 KMT2A (0.67) CYP1A2CYP3A4CYP2C19MAPTMEN1
SCHEMBL519033 0.66 ALDH1A1 (0.60) CYP1A2CYP3A4CYP2C19MAPTMEN1
SCHEMBL518964 0.66 KMT2A (0.62) CYP1A2CYP3A4CYP2C19MAPTMEN1
SCHEMBL518582 0.65 GAA (0.68) CYP1A2CYP3A4CYP2C19MAPTMEN1
SCHEMBL10417215 0.65 NOTUM (0.50) CYP1A2CYP3A4CYP2C19MAPTALDH1A1

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
EP-0269806-B1 PHENYLPYRAZOLE CARBONIC ACID DERIVATIVES, THEIR PREPARATION AND USE AS PLANT GROWTH REGULATORS AND ANTIDOTES HOECHST AKTIENGESELLSCHAFT (DE) 1991-02-27 EP disclosed