SCHEMBL8688201

SCHEMBL8688201

CCC#CCN1N=C(c2ccc(Cl)cc2)CSC1=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
LMNA P02545 6/20 0.48
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 3/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 4/20 0.41
TP53 P04637 3/20 0.41
MET P08581 1/20 0.41
HTT P42858 2/20 0.38
GFER P55789 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
POLB P06746 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
SCHEMBL8300262 0.81 RAB9A (0.53) LMNAALDH1A1MAPTRAB9ATP53
SCHEMBL8686337 0.75 RAB9A (0.40) LMNAALDH1A1TDP1MAPTRAB9A
SCHEMBL260681 0.73 LMNA (0.63) CYP1A2CYP2C9LMNAALDH1A1TDP1
SCHEMBL8686844 0.72 PDCD1 (0.39) LMNAALDH1A1TDP1SMN1; SMN2MAPT
SCHEMBL8685301 0.71 KMT2A (0.52) ALDH1A1HPGD
SCHEMBL8686253 0.71 RAB9A (0.51) LMNAALDH1A1MAPTRAB9ATP53
SCHEMBL261421 0.69 ALDH1A1 (0.57) CYP1A2CYP2C9LMNAALDH1A1TDP1
SCHEMBL8300317 0.68 TP53 (0.53) LMNAALDH1A1MAPTRAB9ATP53
SCHEMBL2085735 0.68 LMNA (0.63) CYP1A2CYP2C9LMNAALDH1A1TDP1
SCHEMBL8305754 0.68 TP53 (0.55) LMNAALDH1A1MAPTRAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753642-A AGRICULTURE, MEDICINE ROHM AND HAAS COMPANY (US) 1998-05-19 US disclosed
US-5728715-A FOR MAMMALS, AGRICULTURE, RICE, WHEAT, TOMATOES ROHM AND HAAS COMPANY (US) 1998-03-17 US disclosed
US-5728698-A AGRICULTURAL USE, RICE, WHEAT ROHM AND HAAS COMPANY (US) 1998-03-17 US disclosed
US-5728694-A Dihydropyridazinones, pyridazinones and related compounds as fungicides ROHM AND HAAS COMPANY (US) 1998-03-17 US disclosed
US-5726162-A FOR CONTROLLING AGRICULTURAL AND MAMMALIAN FUNGAL DISEASES ROHM AND HAAS COMPANY (US) 1998-03-10 US disclosed
US-5726176-A FOR CONTROLLING AGRICULTURAL AND MAMMALIAN FUNGAL DISEASES ROHM AND HAAS COMPANY (US) 1998-03-10 US disclosed
US-5631254-A RICE; HUMAN INFECTIONS ROHM AND HAAS COMPANY (US) 1997-05-20 US disclosed
US-5552409-A PHYTOPATHOGENIC, RICE ROHM AND HAAS COMPANY (US) 1996-09-03 US disclosed
EP-0478195-A1 Dihydropyridazinones, pyridazinones and related compounds as fungicides ROHM AND HAAS COMPANY (US) 1992-04-01 EP disclosed