SCHEMBL7003484

SCHEMBL7003484

CCCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.62
KMT2A Q03164 7/20 0.62
MAPT P10636 5/20 0.61
HTT P42858 4/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
RECQL P46063 1/20 0.61
LMNA P02545 4/20 0.59
GAA P10253 1/20 0.59
HPGD P15428 2/20 0.58
ALDH1A1 P00352 1/20 0.58
ATM Q13315 1/20 0.57
TNF P01375 1/20 0.54
NOD1 Q9Y239 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
P2RX1 P51575 1/20 0.53

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
SCHEMBL11257514 0.90 MEN1 (0.57) MEN1KMT2AMAPTHTTCYP1A2
SCHEMBL27725212 0.84 KMT2A (0.62) MEN1KMT2AMAPTHTTCYP1A2
SCHEMBL3307725 0.84 KMT2A (0.64) MEN1KMT2AMAPTHTTCYP1A2
SCHEMBL5182303 0.83 LMNA (0.69) MEN1KMT2AMAPTHTTRECQL
SCHEMBL8876963 0.83 KMT2A (0.63) MEN1KMT2AMAPTHTTCYP1A2
SCHEMBL3801020 0.82 KMT2A (0.63) MEN1KMT2AMAPTHTTCYP1A2
SCHEMBL3341413 0.82 LMNA (0.53) MEN1KMT2AMAPTHTTRECQL
SCHEMBL31480868 0.81 ALDH1A1 (0.69) MEN1KMT2AMAPTHTTCYP3A4
SCHEMBL8723961 0.81 KMT2A (0.60) MEN1KMT2AMAPTHTTCYP1A2
SCHEMBL2337052 0.81 KMT2A (0.67) MEN1KMT2AMAPTHTTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1166623-C 2-phenoxyaniline derivatives ������ҩ��ʽ���� 2004-09-15 CN disclosed
EP-1252163-B1 4-PYRIDYL-AND 2,4-PYRIMIDINYL-SUBSTITUTED PYRROLE DERIVATIVES AND THEIR USE IN PHARMACY MERCKLE GMBH (DE) 2003-09-24 EP disclosed
EP-0978506-B1 2-PHENOXYANILINE DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2003-01-08 EP disclosed
US-6156801-A 2-phenoxyaniline derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2000-12-05 US disclosed
CN-1251571-A 2-phenoxyaniline derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2000-04-26 CN disclosed
EP-0978506-A1 2-PHENOXYANILINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2000-02-09 EP disclosed