SCHEMBL27586010

SCHEMBL27586010

N#CC(C#N)(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1C=CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPD P32754 2/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 5/20 0.37
CYP3A4 P08684 2/20 0.36
PKM P14618 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
TXNRD1 Q16881 1/20 0.36

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
SCHEMBL27603699 0.80 MRGPRX4 (0.38) MAPTALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL1265288 0.76 ALDH1A1 (0.55) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL27586004 0.73 NAAA (0.37) ALDH1A1MEN1KMT2AALOX15
SCHEMBL6835197 0.73 ALDH1A1 (0.38) MAPTALDH1A1MEN1KMT2AHPD
SCHEMBL148988 0.72 ALDH1A1 (0.50) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL6825008 0.71 MAPK1 (0.37) MAPTALDH1A1MEN1KMT2AHPD
SCHEMBL27801673 0.70 ALDH1A1 (0.49) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL13678600 0.70 MAPK1 (0.53) MAPTALDH1A1MEN1KMT2AHPD
SCHEMBL2923553 0.69 ALDH1A1 (0.50) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL5458551 0.69 ALDH1A1 (0.50) MAPTALDH1A1MEN1KMT2AHPD

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-1523958-A Pesticide compositions comprising malononitrile compounds ס�ѻ�ѧ��ҵ��ʽ���� 2004-08-25 CN disclosed