SCHEMBL10470174

SCHEMBL10470174

O=C(NCc1ccccn1)c1cc(OCC(F)(F)F)ccc1OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.68
▸ ALDH1A1 P00352 4/20 0.54
▸ SORT1 Q99523 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ MAPK1 P28482 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ HTT P42858 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ SGMS2 Q8NHU3 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ MAPK14 Q16539 1/20 0.47
▸ LRRK2 Q5S007 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47

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
SCHEMBL11108904 0.96 KMT2A (0.66) KMT2AALDH1A1SORT1KDM4ENPSR1
SCHEMBL1433337 0.92 ALDH1A1 (0.63) KMT2AALDH1A1SORT1KDM4ENPSR1
SCHEMBL31390541 0.92 ALDH1A1 (0.63) KMT2AALDH1A1SORT1KDM4ENPSR1
SCHEMBL10470169 0.88 RAB9A (0.59) KMT2AALDH1A1SORT1KDM4ENPSR1
SCHEMBL10469211 0.87 ALDH1A1 (0.55) KMT2AALDH1A1SORT1KDM4ENPSR1
SCHEMBL10468261 0.86 ALDH1A1 (0.52) KMT2AALDH1A1SORT1KDM4ENPSR1
SCHEMBL10469507 0.86 ALDH1A1 (0.56) KMT2AALDH1A1SORT1KDM4ENPSR1
SCHEMBL10469152 0.86 ALDH1A1 (0.54) KMT2AALDH1A1SORT1KDM4ENPSR1
SCHEMBL10469568 0.86 ALDH1A1 (0.58) KMT2AALDH1A1SORT1KDM4ENPSR1
SCHEMBL10469519 0.84 ALDH1A1 (0.56) KMT2AALDH1A1SORT1KDM4ENPSR1

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-4952574-A Antiarrhythmic substituted N-(2-piperidylmethyl)benzamides RIKER LABORATORIES, INC. (US) 1990-08-28 — — US disclosed
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