SCHEMBL7865607

SCHEMBL7865607

S=C(NCCc1c(Cl)cccc1Cl)Nc1cc[c]cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
LMNA P02545 4/20 0.53
ALOX12 P18054 3/20 0.53
HTT P42858 3/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
RECQL P46063 1/20 0.53
KMT2A Q03164 7/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
MEN1 O00255 5/20 0.49
MAPK1 P28482 2/20 0.49
PTPN7 P35236 1/20 0.49
DUSP3 P51452 1/20 0.49
PTPN5 P54829 1/20 0.49
PTPN11 Q06124 1/20 0.49

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
SCHEMBL7868213 0.84 MAPT (0.55) MAPTLMNAALOX12HTTALDH1A1
SCHEMBL7570976 0.83 MAPT (0.53) MAPTLMNAALOX12HTTALDH1A1
SCHEMBL7673077 0.80 MAPT (0.67) MAPTLMNAALOX12HTTALDH1A1
SCHEMBL7570971 0.79 KDM4E (0.54) MAPTLMNAALOX12HTTALDH1A1
SCHEMBL7860618 0.76 SMN1; SMN2 (0.57) MAPTLMNAALOX12HTTALDH1A1
SCHEMBL7589543 0.74 RAB9A (0.55) MAPTLMNAALOX12HTTALDH1A1
SCHEMBL7872172 0.74 MAPT (0.59) MAPTLMNAALOX12HTTALDH1A1
SCHEMBL7585545 0.74 MAPT (0.66) MAPTLMNAALOX12HTTALDH1A1
SCHEMBL6816156 0.73 LMNA (0.52) MAPTLMNAALOX12HTTALDH1A1
SCHEMBL6950317 0.72 ALDH1A1 (0.67) MAPTLMNAALOX12ALDH1A1KMT2A

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
EP-1137645-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed