SCHEMBL24326728

SCHEMBL24326728

Sc1cc2cc(Sc3ccc4cc5ccccc5cc4c3)ccc2c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.42
CYP1A2 P05177 2/20 0.37
ERBB2 P04626 1/20 0.37
FYN P06241 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
AHR P35869 1/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP2A6 P11509 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
SCHEMBL24435647 0.81 CNR2 (0.41) LMNAKDM4EMAPTPKMMAPK1
SCHEMBL22984562 0.80 HPRT1 (0.36) HPRT1CYP1A2ERBB2FYNMAOA
SCHEMBL11300299 0.78 ALDH1A1 (0.50) CYP1A2MAOALMNASMN1; SMN2KDM4E
SCHEMBL4308375 0.75 ALDH1A1 (0.52) HPRT1CYP1A2ERBB2FYNMAOA
SCHEMBL14354335 0.74 HPRT1 (0.64) HPRT1CYP1A2ERBB2FYNMAOA
Chrysene SCHEMBL21954859 0.73 HPRT1 (0.78) HPRT1CYP1A2ERBB2FYNMAOA
SCHEMBL7708311 0.72 MAOA (0.48) MAOALMNASMN1; SMN2KDM4EMAPT
SCHEMBL761802 0.71 LMNA (0.57) CYP1A2LMNASMN1; SMN2KDM4EMAPT
Chrysene SCHEMBL22495970 0.71 HPRT1 (0.82) HPRT1CYP1A2ERBB2FYNMAOA
SCHEMBL30832956 0.71 LMNA (0.57) CYP1A2LMNASMN1; SMN2KDM4EMAPT

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
US-20220118787-A1 ON-PRESS DEVELOPMENT TYPE LITHOGRAPHIC PRINTING PLATE PRECURSOR, METHOD FOR PREPARING LITHOGRAPHIC PRINTING PLATE, AND LITHOGRAPHIC PRINTING METHOD FUJIFILM CORPORATION (JP) 2022-04-21 US disclosed