SCHEMBL25458035

SCHEMBL25458035

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5ccc(-c6ccccc6)c6sc7ccccc7c56)c5oc6ccccc6c45)c3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.35
CDC14B O60729 1/20 0.34
CDC14A Q9UNH5 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LIMK1 P53667 1/20 0.34
ALOX5 P09917 3/20 0.33
TSHR P16473 3/20 0.33
LMNA P02545 3/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 1/20 0.33
HPGD P15428 1/20 0.33
CYP17A1 P05093 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ESR2 Q92731 2/20 0.32
ESR1 P03372 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
SCHEMBL25458037 0.97 MAPT (0.36) MAPTALDH1A1KDM4EPOLBCDC14B
SCHEMBL25459054 0.93 LIMK1 (0.35) MAPTALDH1A1KDM4EPOLBNPSR1
SCHEMBL25458074 0.92 LIMK1 (0.38) MAPTALDH1A1KDM4EPOLBCDC14B
SCHEMBL25459056 0.90 LIMK1 (0.36) MAPTLIMK1ALOX5
SCHEMBL25459566 0.89 LIMK1 (0.39) MAPTALDH1A1KDM4EPOLBLIMK1
SCHEMBL26050999 0.89 ALOX5 (0.36) MAPTALDH1A1KDM4EPOLBLIMK1
SCHEMBL25458114 0.89 ALOX5 (0.45) MAPTALDH1A1KDM4EPOLBCDC14B
SCHEMBL25458044 0.88 LIMK1 (0.39) MAPTALDH1A1KDM4EPOLBCDC14B
SCHEMBL25458122 0.88 ALOX5 (0.44) MAPTALDH1A1KDM4EPOLBCDC14B
SCHEMBL25458076 0.88 ALOX5 (0.38) MAPTALDH1A1KDM4EPOLBCDC14B

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
US-20230157151-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-05-18 US disclosed
US-20230157151-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-05-18 US disclosed