SCHEMBL24170233

SCHEMBL24170233

C=CCCN1CCc2cc(C)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
ALDH1A1 P00352 6/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
USP2 O75604 1/20 0.41
CDK4 P11802 1/20 0.41
ALOX15 P16050 1/20 0.41
CCND1 P24385 1/20 0.41
MAPT P10636 6/20 0.39
KDM4E B2RXH2 6/20 0.39
RECQL P46063 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
MAPK1 P28482 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
SCHEMBL24169983 0.82 NOTUM (0.43) NOTUMALDH1A1MEN1KMT2AUSP2
SCHEMBL16479227 0.81 ALDH1A1 (0.49) NOTUMALDH1A1CHRM2CHRM4CHRM1
SCHEMBL17320372 0.80 GRM5 (0.45)
SCHEMBL4572836 0.80 NOTUM (0.47) NOTUMALDH1A1CHRM2CHRM4CHRM1
SCHEMBL21208732 0.78 NOTUM (0.46) NOTUMALDH1A1CHRM2CHRM4CHRM1
SCHEMBL24169797 0.78 ALDH1A1 (0.70) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL3437431 0.77 NOTUM (0.51) NOTUMALDH1A1CHRM2CHRM4CHRM1
SCHEMBL25818505 0.77 ALDH1A1 (0.65) NOTUMALDH1A1CHRM2CHRM4CHRM1
SCHEMBL13961196 0.76 NOTUM (0.50) NOTUMALDH1A1CHRM2CHRM4CHRM1
SCHEMBL14149496 0.75 KDM4E (0.46) NOTUMALDH1A1CHRM2CHRM4CHRM1

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
EP-3405454-B1 INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF YISSUM RES DEV CO OF HEBREW UNIV JERUSALEM LTD (IL) 2021-12-29 EP disclosed