SCHEMBL10940657

SCHEMBL10940657

CN(C)/C=C(/C(=O)C(C)(C)C)n1cncn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.62
RAB9A P51151 5/20 0.62
PKM P14618 5/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
HTT P42858 5/20 0.62
NPC1 O15118 4/20 0.62
MITF O75030 1/20 0.62
ATM Q13315 4/20 0.59
LMNA P02545 7/20 0.58
HPGD P15428 4/20 0.54
TP53 P04637 2/20 0.54
POLB P06746 1/20 0.54
XBP1 P17861 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
S1PR2 O95136 1/20 0.50
S1PR4 O95977 1/20 0.50
S1PR1 P21453 1/20 0.50
AGTR1 P30556 1/20 0.50
RAB27A P51159 1/20 0.50
PAX8 Q06710 1/20 0.50

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
SCHEMBL4179945 0.86 LMNA (0.57) MAPTRAB9APKMSMN1; SMN2HTT
SCHEMBL4179940 0.86 LMNA (0.57) MAPTRAB9APKMSMN1; SMN2HTT
SCHEMBL10944619 0.81 MAPT (0.61) MAPTRAB9APKMSMN1; SMN2HTT
SCHEMBL11376928 0.79 SMN1; SMN2 (0.59) MAPTRAB9APKMSMN1; SMN2HTT
SCHEMBL11376924 0.79 SMN1; SMN2 (0.59) MAPTRAB9APKMSMN1; SMN2HTT
SCHEMBL10945521 0.77 MAPT (0.57) MAPTRAB9APKMSMN1; SMN2HTT
SCHEMBL10945514 0.77 MAPT (0.57) MAPTRAB9APKMSMN1; SMN2HTT
SCHEMBL8781969 0.77 MAPT (0.80) MAPTRAB9APKMSMN1; SMN2HTT
SCHEMBL8781966 0.77 MAPT (0.80) MAPTRAB9APKMSMN1; SMN2HTT
SCHEMBL10383575 0.76 RAB9A (0.57) MAPTRAB9APKMSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0079006-B1 AZOLYL ALKENONES AND OLS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PLANT GROWTH REGULATORS AND FUNGICIDES BAYER AG (DE) 1985-12-11 EP disclosed
US-4500537-A MICROBIOCIDES, PLANT SAFENING AGENT BAYER AKTIENGESELLSCHAFT (DE) 1985-02-19 US disclosed
EP-0040368-B1 TRIAZOLYL VINYL KETONES AND CARBINOLS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1983-09-28 EP disclosed
EP-0079006-A1 Azolyl alkenones and ols, process for their preparation and their use as plant growth regulators and fungicides BAYER AG (DE) 1983-05-18 EP disclosed
US-4380628-A REACTING THE KETO-ENAMINE-SUBSTITUTED IMIDAZOLE OR 1,2,4-TRIAZOLE DERIVATIVE WITH A GINR ARD REAGENT; FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1983-04-19 US disclosed
EP-0032239-B1 METHOD FOR PREPARING AZOLYL-VINYL-KETONES BAYER AG (DE) 1983-01-12 EP disclosed
EP-0040368-A1 Triazolyl vinyl ketones and carbinols, process for their preparation and their use as fungicides BAYER AG (DE) 1981-11-25 EP disclosed
EP-0032239-A1 Method for preparing azolyl-vinyl-ketones BAYER AG (DE) 1981-07-22 EP disclosed