SCHEMBL21766095

SCHEMBL21766095

CCNC(=O)c1ccc2c(c1)NC(=O)c1cc(C)cn1S2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
MITF O75030 3/20 0.44
KMT2A Q03164 5/20 0.42
MAPT P10636 2/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
RAD52 P43351 1/20 0.39
MEN1 O00255 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
SCHEMBL23159119 0.84 SMN1; SMN2 (0.47) POLBMITFKMT2AMAPTTP53
SCHEMBL23158968 0.84 MAPT (0.49) POLBKMT2AMAPTTP53SMN1; SMN2
SCHEMBL21766162 0.84 ALDH1A1 (0.51) POLBKMT2AMAPTTP53SMN1; SMN2
SCHEMBL23158997 0.83 ALDH1A1 (0.50) MAPTHPGD
SCHEMBL23159144 0.83 KMT2A (0.49) POLBKMT2AMAPTTP53SMN1; SMN2
SCHEMBL23158963 0.81 MITF (0.43) MITFKMT2AMAPTSMN1; SMN2HPGD
SCHEMBL23159065 0.80 NPC1 (0.44) MITFKMT2ASMN1; SMN2HPGDNPC1
SCHEMBL23159006 0.80 KMT2A (0.44) POLBMITFKMT2AMAPTHPGD
SCHEMBL23159005 0.80 KMT2A (0.44) POLBMITFKMT2AMAPTHPGD
SCHEMBL23158962 0.79 KMT2A (0.40) POLBMITFKMT2AMAPTHPGD

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
EP-3854797-A1 CRYSTAL FORM OF TRI-CYCLE COMPOUND AND APPLICATION THEREOF Fujian Cosunter Pharmaceutical Co., Ltd. (CN) 2021-07-28 EP disclosed
WO-2020038456-A1 CRYSTAL FORM OF TRI-CYCLE COMPOUND AND APPLICATION THEREOF 福建广生堂药业股份有限公司 2020-02-27 WO disclosed