SCHEMBL11241288

SCHEMBL11241288

CC(C)(C#N)C(=NO)n1cncn1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP19A1 P11511 4/20 0.33
UGT1A4 P22310 1/20 0.33
PDE4D Q08499 1/20 0.33
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 0.32
PKM P14618 2/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MITF O75030 1/20 0.32
LMNA P02545 2/20 0.32
ATM Q13315 2/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL11241283 1.00 MEN1 (0.36) MEN1ALDH1A1KMT2ACYP19A1UGT1A4
SCHEMBL11238546 0.80 RAB9A (0.39) MEN1ALDH1A1KMT2ARAB9ANPC1
SCHEMBL11238548 0.80 RAB9A (0.39) MEN1ALDH1A1KMT2ARAB9ANPC1
SCHEMBL11247760 0.75 MEN1 (0.34) MEN1ALDH1A1KMT2ARAB9ANPC1
SCHEMBL11247765 0.75 MEN1 (0.34) MEN1ALDH1A1KMT2ARAB9ANPC1
SCHEMBL11238687 0.75 MEN1 (0.34) MEN1ALDH1A1KMT2ARAB9ANPC1
SCHEMBL11245115 0.73 MEN1 (0.33) MEN1ALDH1A1KMT2ARAB9ANPC1
SCHEMBL11245126 0.73 MEN1 (0.33) MEN1ALDH1A1KMT2ARAB9ANPC1
SCHEMBL11239431 0.73 NOS1 (0.35)
SCHEMBL11237453 0.73 RAB9A (0.33) MEN1ALDH1A1KMT2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4344953-A INSECTICIDES, NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-08-17 US disclosed
EP-0005249-B1 SUBSTITUTED ALKANYL-AZOLYL CARBAMATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS INSECTICIDES, ACARICIDES AND NEMATOCIDES BAYER AG (DE) 1981-09-02 EP disclosed
EP-0005249-A2 Substituted alkanyl-azolyl carbamates, process for their preparation and their use as insecticides, acaricides and nematocides BAYER AG (DE) 1979-11-14 EP disclosed