SCHEMBL24908968

SCHEMBL24908968

CCC(C(=O)Nc1ccncc1)N1C(=O)c2cc(Oc3ccc(C(C)(C)C)cc3)c3c4c(Oc5ccc(C(C)(C)C)cc5)cc5c6c(cc(Oc7ccc(C(C)(C)C)cc7)c(c7c(Oc8ccc(C(C)(C)C)cc8)cc(c2c37)C1=O)c64)C(=O)N(C(CC)C(=O)Nc1ccncc1)C5=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.39
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPK14 Q16539 1/20 0.36
LMNA P02545 4/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
BRAF P15056 1/20 0.36
MAPK13 O15264 1/20 0.36
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DNMT1 P26358 3/20 0.35
ALDH1A1 P00352 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
SCHEMBL24909227 0.86 TP53 (0.44) RAF1MAPTNPSR1MAPK14LMNA
SCHEMBL24909157 0.83 ALOX15 (0.44) MAPK1BRAFHTTSMN1; SMN2ALDH1A1
SCHEMBL24908987 0.82 MAPT (0.55) MAPTNPSR1POLBDNMT1ALDH1A1
SCHEMBL24908993 0.80 MAPT (0.46) MAPTNPSR1MAPK1DNMT1ALDH1A1
SCHEMBL24705137 0.80 MAPT (0.36) MAPTNPSR1MAPK14LMNAKDM4E
SCHEMBL24908667 0.79 TP53 (0.48) MAPTNPSR1MAPK14LMNAKDM4E
SCHEMBL24705501 0.79 NPC1 (0.36) MAPTMAPK14HPGDBRAFALDH1A1
SCHEMBL24705004 0.78 USP2 (0.40) MAPTNPSR1MAPK14LMNADNMT1
SCHEMBL24909637 0.78 DNMT1 (0.44) MAPTNPSR1KDM4EPOLBHPGD
SCHEMBL24909257 0.77 DNMT1 (0.36) NPSR1HPGDDNMT1ALDH1A1

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-20230023648-A1 COMPOUND, PHOTOSENSITIVE FLUORESCENT RESIN COMPOSITION COMPRISING SAME, COLOR CONVERSION FILM PREPARED USING SAME, BACKLIGHT UNIT, AND DISPLAY DEVICE LG CHEM, LTD (KR) 2023-01-26 US disclosed