SCHEMBL29360641

SCHEMBL29360641

CC1(c2ccccc2)CN=Cc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ADRB2 P07550 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 3/20 0.33
TP53 P04637 3/20 0.33
PLIN1 O60240 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PLIN5 Q00G26 1/20 0.33
ABHD5 Q8WTS1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CCR2 P41597 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
BRD4 O60885 1/20 0.31
BACE1 P56817 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL52343 0.79 HTR2A (0.31)
SCHEMBL29666271 0.79 HTR2A (0.31)
SCHEMBL30251219 0.76 PNMT (0.33)
SCHEMBL24124845 0.76
SCHEMBL5011176 0.72 OPRM1 (0.38) NPSR1OPRM1OPRL1USP2
SCHEMBL30024117 0.71
SCHEMBL29516288 0.71
SCHEMBL14817223 0.71
SCHEMBL28209280 0.70 SIGMAR1 (0.37) SIGMAR1MEN1KMT2AADRB2NPSR1
Hydrochloric Acid SCHEMBL29791533 0.69

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-3941905-A1 SUMO INHIBITOR COMPOUNDS AND USES THEREOF Suvalent Therapeutics, Inc. (US) 2022-01-26 EP disclosed