SCHEMBL23980728

SCHEMBL23980728

COc1cc2ccc(SC)cc2cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
MAPT P10636 1/20 0.39
CYP1A1 P04798 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP1B1 Q16678 3/20 0.38
KDM4E B2RXH2 1/20 0.37
KDM2B Q8NHM5 1/20 0.36
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
ABL1 P00519 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35

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
SCHEMBL17919704 0.79 CYP2A6 (0.52) NPC1RAB9ACASP3SENP7MAPT
SCHEMBL16705379 0.76 NPC1 (0.41) NPC1RAB9ACASP3SENP7MAPT
SCHEMBL2671991 0.76 THRB (0.44) NPC1RAB9ACASP3SENP7MAPT
SCHEMBL29024744 0.76 ALDH1A1 (0.45) NPC1RAB9ACASP3SENP7MAPT
SCHEMBL19414340 0.76 NPC1 (0.41) NPC1RAB9ACASP3SENP7MAPT
SCHEMBL16294333 0.76 SCN9A (0.53) NPC1RAB9AMAPTKDM4E
SCHEMBL1536432 0.75 KDM4E (0.57) NPC1RAB9AMAPTCYP1A2KDM4E
SCHEMBL8445262 0.75 NNMT (0.44) MAPTCYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL30746959 0.75 KDM4E (0.57) NPC1RAB9AMAPTCYP1A2KDM4E
SCHEMBL19798862 0.74 RAB9A (0.41) NPC1RAB9ACASP3SENP7MAPT

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
WO-2021222542-A1 5-AMINO-2-PIPERIDINON-3-YL-1-OXOISOINDOLINE DERIVATIVES FOR DEGRADATION OF IKZF2 DEGRADERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-11-04 WO disclosed