SCHEMBL30136216

SCHEMBL30136216

O=C(Nc1ccccc1C(F)(F)F)C1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.62
CETP P11597 1/20 0.61
HDAC3 O15379 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC2 Q92769 1/20 0.61
POLB P06746 2/20 0.60
RXFP1 Q9HBX9 4/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CYP1A2 P05177 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.57
HPGD P15428 1/20 0.55

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
SCHEMBL7607788 1.00 MAPT (0.62) MAPTCETPHDAC3HDAC1HDAC2
SCHEMBL1817247 0.85 POLB (0.61) MAPTPOLBRXFP1MEN1KMT2A
SCHEMBL15529987 0.85 RXFP1 (0.60) POLBRXFP1HPGD
SCHEMBL28256535 0.84 CETP (0.77) CETPHDAC3HDAC1HDAC2MEN1
SCHEMBL28258088 0.84 CETP (0.77) CETPHDAC3HDAC1HDAC2MEN1
SCHEMBL12323604 0.84 CETP (0.77) CETPHDAC3HDAC1HDAC2MEN1
SCHEMBL1816200 0.83 POLB (0.58) MAPTPOLBMEN1KMT2ACYP1A2
SCHEMBL27562556 0.82 MEN1 (0.70) MAPTMEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL5182843 0.82 POLB (0.74) MAPTPOLBMEN1KMT2ACYP1A2
SCHEMBL7111160 0.80 KMT2A (0.47) MAPTCETPHDAC3HDAC1HDAC2

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
CN-113445066-B Method for electrochemically synthesizing ortho-trifluoromethyl substituted aniline by using continuous flow 南京先进生物材料与过程装备研究院有限公司 2022-12-20 CN disclosed