SCHEMBL10972069

SCHEMBL10972069

O=C=Nc1cc(OCC(F)(F)F)ccc1OCC(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.48
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ POLB P06746 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HTT P42858 3/20 0.40
▸ MAPT P10636 2/20 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
SCHEMBL6721254 0.76 KDM4E (0.44) KDM4EALDH1A1CYP1A2MEN1KMT2A
SCHEMBL10720396 0.76 CYP3A4 (0.46) KDM4EALDH1A1CYP1A2CYP2C9POLB
SCHEMBL10975754 0.75 ALDH1A1 (0.40) KDM4EALDH1A1CYP1A2CYP2C9POLB
SCHEMBL7238854 0.74 MAPT (0.40) KDM4EALDH1A1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL6371313 0.72 ALDH1A1 (0.44) KDM4EALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL29470093 0.72 KDM4E (0.54) KDM4EALDH1A1CYP1A2CYP2C9POLB
SCHEMBL14416566 0.71 ALDH1A1 (0.56) KDM4EALDH1A1CYP1A2CYP2C9POLB
SCHEMBL12924994 0.71 KDM4E (0.45) KDM4EALDH1A1MAPT
SCHEMBL2031055 0.70 ALDH1A1 (0.55) KDM4EALDH1A1CYP1A2CYP2C9POLB
SCHEMBL6799442 0.70 KDM4E (0.53) KDM4EALDH1A1CYP1A2CYP2C9POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4491584-A ANTIARRHYTHMIA AGENTS RIKER LABORATORIES (US) 1985-01-01 — — US disclosed
US-4154941-A ANTIARRHYTHMIC AGENTS RIKER LABORATORIES, INC. (US) 1979-05-15 — — US disclosed
US-4071524-A Derivatives of urea RIKER LABORATORIES, INC. (US) 1978-01-31 — — US disclosed
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