SCHEMBL9681632

SCHEMBL9681632

O=C(OC1CCCCC1)c1ccnn1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
NOTCH1 P46531 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 3/20 0.42
CCR2 P41597 1/20 0.41
CTSK P43235 1/20 0.41
NOTUM Q6P988 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPY5R Q15761 1/20 0.39
EPHX2 P34913 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
SCHEMBL9830089 0.84 POLB (0.41) ATMNOTCH1POLBCCR2CTSK
SCHEMBL10467154 0.77 KMT2A (0.53) ATMHPGDPOLBNOTUMKMT2A
SCHEMBL9682508 0.77 CYP2C19 (0.46) NOTCH1KDM4EALDH1A1CYP2C9HPGD
SCHEMBL3241127 0.76 PLA2G10 (0.54) ATMCYP2C9HPGDCYP2C19POLB
SCHEMBL9299353 0.71 HPGD (0.60) KDM4EALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL9832162 0.70 CYP1A2 (0.43) ALDH1A1CYP2C9CYP2C19POLBCCR2
SCHEMBL29985028 0.70 CYP17A1 (0.45) ALDH1A1HPGDCYP2C19CTSKNOTUM
SCHEMBL403594 0.66 POLB (0.56) ALDH1A1HPGDCYP2C19POLBNOTUM
SCHEMBL10842118 0.65 KMT2A (0.51) HPGDCYP2C19POLBCTSKNOTUM
SCHEMBL18455052 0.64 CYP2C9 (0.54) KDM4EALDH1A1CYP2C9HPGDCYP2C19

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-4891057-A Phenylpyrazolecarboxylic acid derivatives, their preparation, and their use as plant-growth regulators and safeners HOECHST AKTIENGESELLSCHAFT (DE) 1990-01-02 US claimed
US-5082949-A Plant growth regulators, protective agents HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-21 US disclosed
US-4891057-A Phenylpyrazolecarboxylic acid derivatives, their preparation, and their use as plant-growth regulators and safeners HOECHST AKTIENGESELLSCHAFT (DE) 1990-01-02 US disclosed