SCHEMBL8683100

SCHEMBL8683100

CCC#CCN1N=C(c2cccc(C(F)(F)F)c2)CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
PGR P06401 1/20 0.38
TP53 P04637 3/20 0.37
MAPT P10636 1/20 0.37
ORAI1 Q96D31 1/20 0.37
LMNA P02545 2/20 0.37
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 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
SCHEMBL8303966 0.85 TP53 (0.43) ALDH1A1MEN1KMT2APDE4APDE4B
SCHEMBL8302675 0.77 PGR (0.51) CD274ALDH1A1MEN1KMT2APDE4A
SCHEMBL8683527 0.72 PDE4B (0.54) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL8683010 0.71 PGR (0.40) ALDH1A1MEN1KMT2APDE4APDE4B
SCHEMBL8683092 0.69 POLB (0.45) PDCD1CD274MEN1KMT2ACYP11B1
SCHEMBL13649471 0.68 RAB9A (0.35) ALDH1A1MEN1KMT2APDE4APDE4B
SCHEMBL29078272 0.68 GPR55 (0.57) ALDH1A1MEN1KMT2A
SCHEMBL17504179 0.67 LMNA (0.44) MEN1KMT2ATP53MAPTLMNA
SCHEMBL4055845 0.65 PGR (0.57) ALDH1A1MEN1KMT2APDE4APDE4B
SCHEMBL8683107 0.65 PDCD1 (0.46) PDCD1CD274ORAI1GRIN1GRIN2B

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-5728698-A AGRICULTURAL USE, RICE, WHEAT 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-5726176-A FOR CONTROLLING AGRICULTURAL AND MAMMALIAN FUNGAL DISEASES ROHM AND HAAS COMPANY (US) 1998-03-10 US disclosed
US-5726162-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