SCHEMBL24988907

SCHEMBL24988907

CCCCc1cc(C)c2[nH]c(-c3ccccc3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.44
MPL P40238 3/20 0.43
CTSV O60911 2/20 0.43
CTSL P07711 2/20 0.43
NPY5R Q15761 6/20 0.40
HSD11B1 P28845 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
SKP2 Q13309 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PPARG P37231 1/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADORA2B P29275 2/20 0.38
ADORA1 P30542 2/20 0.38
ADORA2A P29274 1/20 0.38

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
SCHEMBL24988657 0.96 CTSV (0.43) PSMB5MPLCTSVCTSLNPY5R
SCHEMBL25014429 0.92 NPY5R (0.42) NPY5RNPC1RAB9APPARGADORA3
SCHEMBL24988650 0.85 CTSV (0.45) PSMB5MPLCTSVCTSLNPY5R
SCHEMBL25014995 0.83 NPY5R (0.39) NPY5RGPR84NPC1RAB9APPARG
SCHEMBL24989519 0.83 MPL (0.41) PSMB5MPLCTSVCTSLNPY5R
SCHEMBL24988939 0.82 MPL (0.43) PSMB5MPLCTSVCTSLNPY5R
SCHEMBL24988648 0.81 NPY5R (0.43) PSMB5MPLCTSVCTSLNPY5R
SCHEMBL24989523 0.81 NPY5R (0.44) PSMB5MPLCTSVCTSLNPY5R
SCHEMBL24990242 0.80 CTSV (0.44) PSMB5MPLCTSVCTSLNPY5R
SCHEMBL24988856 0.80 NPY5R (0.42) PSMB5MPLCTSVCTSLNPY5R

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-2023013996-A1 INDOLE DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF 주식회사 미토이뮨테라퓨틱스 2023-02-09 WO disclosed
WO-2023013994-A1 NOVEL INDOLE DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 주식회사 미토이뮨테라퓨틱스 2023-02-09 WO disclosed