SCHEMBL8301250

SCHEMBL8301250

CCCC#CN1CC(=O)CC(c2ccccc2Cl)=N1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
HTR2B P41595 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
PGR P06401 1/20 0.31
CRBN Q96SW2 1/20 0.31
GRM2 Q14416 1/20 0.31
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL8685396 0.87 KIF11 (0.34) KIF11PDCD1CD274
SCHEMBL8301456 0.86 KIF11 (0.36) KIF11CRBNGRM2
SCHEMBL8683096 0.84 PDCD1 (0.46) ALDH1A1RAB9AMEN1KMT2APDCD1
SCHEMBL8302679 0.80 CD274 (0.41) CD274PGR
SCHEMBL8304845 0.79 KIF11 (0.37) KIF11LMNAMAPTMEN1KMT2A
SCHEMBL8683206 0.79 ALDH1A1 (0.35) ALDH1A1HPGD
SCHEMBL8683364 0.78 NPC1 (0.32) RAB9ANPC1
SCHEMBL8300862 0.77 PTGS1 (0.33) CD274GRM2
SCHEMBL8685267 0.76 BTK (0.37) ALDH1A1LMNAMAPTMAOAMAOB
SCHEMBL8683453 0.76 RAB9A (0.36) ALDH1A1LMNAMAPTRAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0478195-B1 Dihydropyridazinones and pyridazinones as fungicides ROHM & HAAS (US) 1999-05-26 EP disclosed
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