SCHEMBL6495353

SCHEMBL6495353

Cc1cc([N+](=O)[O-])c(C)cc1SCc1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.47
MAPT P10636 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALPG P10696 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
EPHX1 P07099 3/20 0.42
GFER P55789 2/20 0.42
DAO P14920 2/20 0.41
EGFR P00533 1/20 0.41
MET P08581 1/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.40
CA12 O43570 1/20 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
SCHEMBL6497434 0.79 ALDH1A1 (0.42) MAPTLMNACYP1A2CYP3A4CYP2C9
SCHEMBL6490179 0.79 RAB9A (0.49) RAB9AMAPTNPSR1HTTLMNA
SCHEMBL20522536 0.76 EGFR (0.51) RAB9AMAPTLMNAGFERDAO
SCHEMBL7956575 0.74 EPHX1 (0.47) RAB9AMAPTNPSR1HTTLMNA
SCHEMBL11086830 0.74 ALDH1A1 (0.62) RAB9AMAPTNPSR1HTTLMNA
SCHEMBL6500395 0.71 MAPT (0.45) RAB9AMAPTNPSR1HTTLMNA
SCHEMBL6500399 0.71 MAPT (0.45) RAB9AMAPTNPSR1HTTLMNA
SCHEMBL30822033 0.70 MAPK1 (0.55) MAPTLMNACYP1A2CYP3A4CYP2C9
SCHEMBL3778792 0.70 MAPK1 (0.55) MAPTLMNACYP1A2CYP3A4CYP2C9
SCHEMBL4607970 0.69 MAPT (0.47) MAPTNPSR1LMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6893650-B1 N2-phenylamidine derivatives BAYER CROPSCIENCE GMBH (DE) 2005-05-17 US disclosed
CN-1170813-C N2 phenylamidine derivatives �ݶ�ũ�����޹�˾ 2004-10-13 CN disclosed
EP-1150944-B1 N2-PHENYLAMIDINE DERIVATIVES BAYER CROPSCIENCE GMBH (DE) 2003-08-20 EP disclosed
CN-1342137-A N2 phenylamidine derivatives AFINDY AGRICULTURAL SCIENCES G (DE) 2002-03-27 CN disclosed