SCHEMBL22702133

SCHEMBL22702133

CC(C)/C(N)=C/NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.46
ADH1C P00326 1/20 0.46
ADH1A P07327 1/20 0.46
ADH7 P40394 1/20 0.46
SIGMAR1 Q99720 3/20 0.42
IDO1 P14902 2/20 0.41
THRB P10828 1/20 0.41
MAPT P10636 6/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP3A4 P08684 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRIN2D O15399 1/20 0.39

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
SCHEMBL22702191 0.76 ALDH1A1 (0.47) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL627479 0.75 ADH1B (0.54) ADH1BADH1CADH1AADH7IDO1
SCHEMBL19675583 0.74 ADH1B (0.42) ADH1BADH1CADH1AADH7MAPT
SCHEMBL23188878 0.73 ADH1B (0.41) ADH1BADH1CADH1AADH7MAPT
SCHEMBL17213800 0.73 ADH1B (0.47) ADH1BADH1CADH1AADH7IDO1
SCHEMBL7449229 0.73 ADH1B (0.52) ADH1BADH1CADH1AADH7IDO1
SCHEMBL20344487 0.73 ADH1B (0.52) ADH1BADH1CADH1AADH7IDO1
SCHEMBL23188929 0.73 ADH1B (0.57) ADH1BADH1CADH1AADH7SIGMAR1
SCHEMBL16903733 0.73 ADH1B (0.47) ADH1BADH1CADH1AADH7IDO1
SCHEMBL7449222 0.73 ADH1B (0.52) ADH1BADH1CADH1AADH7IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023096928-A1 HETERO-ATOM CONTAINING COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-06-01 WO disclosed
EP-3319955-B1 6-AMINO-QUINOLINE-3-CARBONITRILS AS COT MODULATORS GILEAD SCIENCES INC (US) 2020-11-25 EP disclosed