SCHEMBL8686337

SCHEMBL8686337

CCC#CCN1N=C(c2ccc(Cl)cc2)CCC1=S

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.40
TP53 P04637 3/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
THRB P10828 1/20 0.33
PGR P06401 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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 0.84 RAB9A (0.53) RAB9ATP53MAPTLMNAMEN1
SCHEMBL8688201 0.75 CYP1A2 (0.49) RAB9ATP53MAPTLMNAALDH1A1
SCHEMBL8686253 0.74 RAB9A (0.51) RAB9ATP53MAPTLMNAMEN1
SCHEMBL8300317 0.72 TP53 (0.53) RAB9ATP53MAPTLMNAMEN1
SCHEMBL8304640 0.71 TP53 (0.52) RAB9ATP53MAPTLMNAMEN1
SCHEMBL8305754 0.71 TP53 (0.55) RAB9ATP53MAPTLMNAMEN1
SCHEMBL8302675 0.71 PGR (0.51) RAB9ATP53MAPTMEN1KMT2A
SCHEMBL8304842 0.71 PGR (0.46) RAB9ATP53MAPTLMNAMEN1
SCHEMBL8685387 0.70 TP53 (0.51) RAB9ATP53MAPTLMNAMEN1
SCHEMBL8304518 0.69 TP53 (0.50) RAB9ATP53MAPTLMNAMEN1

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-5728694-A Dihydropyridazinones, pyridazinones and related compounds as fungicides ROHM AND HAAS COMPANY (US) 1998-03-17 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-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