SCHEMBL8683056

SCHEMBL8683056

CCC#CCN1N=C(c2cccc3ccccc23)CCC1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
TP53 P04637 4/20 0.36
PDE4B Q07343 2/20 0.34
PDE3A Q14432 2/20 0.34
PDE5A O76074 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33
HTR1A P08908 1/20 0.33
PGR P06401 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALPL P05186 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 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
SCHEMBL8301248 0.83 ALDH1A1 (0.42) LMNATP53PDE4BPDE3APDE5A
SCHEMBL8301452 0.83 ALDH1A1 (0.42) LMNATP53PDE4BPDE3APDE5A
SCHEMBL13649472 0.76 ALDH1A1 (0.36) LMNATP53PDE4BPDE3AALDH1A1
SCHEMBL8304842 0.75 PGR (0.46) LMNATP53PDE4BPDE3AALDH1A1
SCHEMBL8300275 0.75 TP53 (0.46) LMNATP53PDE4BPDE3AALDH1A1
SCHEMBL8300262 0.73 RAB9A (0.53) LMNATP53ALDH1A1MEN1KMT2A
SCHEMBL8685752 0.72 PDE4B (0.39) LMNATP53PDE4BPDE3AALDH1A1
SCHEMBL8683100 0.71 PDCD1 (0.43) LMNATP53PDE4BPDE3AALDH1A1
SCHEMBL8302675 0.70 PGR (0.51) TP53PDE4BPDE3AALDH1A1MEN1
SCHEMBL8300270 0.70 PDE4B (0.41) TP53PDE4BPDE3AALDH1A1MEN1

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-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-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