SCHEMBL8304518

SCHEMBL8304518

O=C1CCC(c2ccc(Cl)cc2)=NN1CC#CCCF

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
THRB P10828 1/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
PGR P06401 1/20 0.41

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
SCHEMBL8304640 0.90 TP53 (0.52) TP53MAPTRAB9AMEN1KMT2A
SCHEMBL8300317 0.86 TP53 (0.53) TP53MAPTRAB9AMEN1KMT2A
SCHEMBL8300262 0.85 RAB9A (0.53) TP53MAPTRAB9AMEN1KMT2A
SCHEMBL8305754 0.85 TP53 (0.55) TP53MAPTRAB9AMEN1KMT2A
SCHEMBL8686253 0.82 RAB9A (0.51) TP53MAPTRAB9AMEN1KMT2A
SCHEMBL8685387 0.81 TP53 (0.51) TP53MAPTRAB9AMEN1KMT2A
SCHEMBL8302185 0.80 TP53 (0.52) TP53MAPTRAB9AMEN1KMT2A
SCHEMBL8300606 0.80 TP53 (0.50) TP53MAPTRAB9AMEN1KMT2A
SCHEMBL8305229 0.80 TP53 (0.56) TP53MAPTRAB9AMEN1KMT2A
SCHEMBL8304627 0.78 RAB9A (0.57) TP53MAPTRAB9AMEN1KMT2A

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