SCHEMBL8683409

SCHEMBL8683409

COC(C)C#CCN1N=C(c2ccc(Cl)cc2)CCC1=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.53
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TP53 P04637 4/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
PDE4B Q07343 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
THRB P10828 1/20 0.40

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
SCHEMBL8684798 0.87 RAB9A (0.54) RAB9AMEN1KMT2ATP53MAPT
SCHEMBL8304627 0.86 RAB9A (0.57) RAB9AMEN1KMT2ATP53MAPT
SCHEMBL8300262 0.81 RAB9A (0.53) RAB9AMEN1KMT2ATP53MAPT
SCHEMBL8300317 0.79 TP53 (0.53) RAB9AMEN1KMT2ATP53MAPT
SCHEMBL8686253 0.79 RAB9A (0.51) RAB9AMEN1KMT2ATP53MAPT
SCHEMBL8305754 0.78 TP53 (0.55) RAB9AMEN1KMT2ATP53MAPT
SCHEMBL8304640 0.78 TP53 (0.52) RAB9AMEN1KMT2ATP53MAPT
SCHEMBL8685387 0.77 TP53 (0.51) RAB9AMEN1KMT2ATP53MAPT
SCHEMBL8302185 0.76 TP53 (0.52) RAB9AMEN1KMT2ATP53MAPT
SCHEMBL8300606 0.76 TP53 (0.50) RAB9AMEN1KMT2ATP53MAPT

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-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-5728715-A FOR MAMMALS, AGRICULTURE, RICE, WHEAT, TOMATOES 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