SCHEMBL19977112

SCHEMBL19977112

C=C(NCC)N1CCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.53
POLB P06746 1/20 0.52
SIGMAR1 Q99720 1/20 0.51
TSHR P16473 1/20 0.51
ALDH1A1 P00352 4/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 2/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL157596 0.81 MAPT (0.64) NOTUMPOLBTSHRALDH1A1MAPT
SCHEMBL160329 0.81 ALDH1A1 (0.58) NOTUMPOLBSIGMAR1TSHRALDH1A1
SCHEMBL10202736 0.78 TSHR (0.63) NOTUMPOLBTSHRALDH1A1MAPT
SCHEMBL11307310 0.76 NOTUM (0.68) NOTUMPOLBSIGMAR1TSHRALDH1A1
SCHEMBL2165230 0.73 ALDH1A1 (0.56) NOTUMPOLBSIGMAR1TSHRALDH1A1
SCHEMBL30204966 0.73 MAPT (0.61) NOTUMPOLBTSHRALDH1A1MAPT
SCHEMBL173546 0.73 GAA (0.60) NOTUMSIGMAR1ALDH1A1MAPTKMT2A
SCHEMBL28545525 0.72 NOTUM (0.57) NOTUMPOLBSIGMAR1TSHRALDH1A1
SCHEMBL5006023 0.72 TSHR (0.75) NOTUMPOLBTSHRALDH1A1MAPT
SCHEMBL13473681 0.72 NOTUM (0.57) NOTUMPOLBSIGMAR1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9918473-B2 Use of aryl carbamates in agriculture and other plant-related areas North Carolian State University (US) 2018-03-20 US disclosed