SCHEMBL21376892

SCHEMBL21376892

CN1c2c(ccc3c2C(C)(C)c2ccccc2-3)-c2ccccc2-c2ccc3c(c21)C(C)(C)c1ccccc1-3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 6/20 0.33
KMT2A Q03164 6/20 0.33
MAPT P10636 6/20 0.33
USP2 O75604 4/20 0.33
ATM Q13315 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
CASP3 P42574 1/20 0.32
POLB P06746 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL12776551 0.90 HTT (0.42) PGRLMNAHTTMEN1KMT2A
SCHEMBL21376894 0.89 MAPT (0.31) PGRLMNAHTTMEN1KMT2A
SCHEMBL21377077 0.84 HTT (0.35) PGRLMNAHTTMEN1KMT2A
SCHEMBL21376896 0.84 HTT (0.35) PGRLMNAHTTMEN1KMT2A
SCHEMBL21376879 0.82 MAPT (0.34) LMNAHTTMEN1KMT2AMAPT
SCHEMBL21376886 0.82 ALOX5 (0.38) PGRMEN1KMT2AATMKDM4E
SCHEMBL12776565 0.79 HTT (0.41) PGRLMNAHTTMEN1KMT2A
SCHEMBL21376880 0.77 MAPT (0.36) PGRLMNAHTTMEN1KMT2A
SCHEMBL21377083 0.76 PGR (0.34) PGRLMNAHTTMEN1KMT2A
SCHEMBL23065473 0.76 HTR1A (0.34) PGR

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-2019174650-A1 COMPOUND HAVING BENZENE CORE, PREPARATION METHOD THEREFOR AND USES THEREOF ON ORGANIC ELECTROLUMINESCENT DEVICE 江苏三月光电科技有限公司 2019-09-19 WO disclosed