SCHEMBL27686809

SCHEMBL27686809

NC(=O)c1cc(Cl)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 2/20 0.51
SLC9A1 P19634 1/20 0.49
LMNA P02545 1/20 0.49
VCAM1 P19320 3/20 0.47
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
MAPT P10636 2/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43

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
SCHEMBL8597606 0.91 KMT2A (0.54) KMT2AALDH1A1CYP3A4SLC9A1LMNA
SCHEMBL6573505 0.89 KMT2A (0.53) KMT2AALDH1A1CYP3A4SLC9A1LMNA
SCHEMBL3422244 0.89 CYP3A4 (0.57) KMT2AALDH1A1CYP3A4SLC9A1LMNA
SCHEMBL4511665 0.87 KMT2A (0.54) KMT2AALDH1A1CYP3A4SLC9A1LMNA
SCHEMBL6814702 0.86 ALDH1A1 (0.62) KMT2AALDH1A1CYP3A4SLC9A1LMNA
SCHEMBL6811571 0.86 KMT2A (0.50) KMT2AALDH1A1CYP3A4SLC9A1LMNA
SCHEMBL7749601 0.83 ALDH1A1 (0.53) KMT2AALDH1A1CYP3A4SLC9A1LMNA
SCHEMBL7372231 0.82 ALDH1A1 (0.62) KMT2AALDH1A1CYP3A4SLC9A1LMNA
SCHEMBL3917078 0.82 KMT2A (0.54) KMT2AALDH1A1CYP3A4LMNAVCAM1
SCHEMBL20638881 0.81 KMT2A (0.49) KMT2AALDH1A1CYP3A4SLC9A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1974540-B Preparation process of 2,5-dichloro-p-phenylenediamine SHANGHAI DYESTUFFS RES INST CO LTD 2010-07-14 CN disclosed
CN-1974540-A Prepn process of 2,5-dichloro-p-phenylenediamine SHANGHAI DYE INST CO LTD (CN) 2007-06-06 CN disclosed