SCHEMBL25849598

SCHEMBL25849598

COc1ccc2nc3c(nc2c1)N(C)/C(=C\C=C1C(=O)c2cc4ccccc4cc2C1=O)N3c1c(C(C)C)cccc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
ALDH1A1 P00352 4/20 0.36
POLB P06746 3/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
NQO2 P16083 1/20 0.36
MAPT P10636 5/20 0.34
TDP1 Q9NUW8 2/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AR P10275 1/20 0.34
THRB P10828 2/20 0.33
BLM P54132 2/20 0.33
HPGD P15428 2/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL23337885 0.94 TP53 (0.44) TP53KMT2AMEN1ALDH1A1POLB
SCHEMBL25849554 0.91 DPP4 (0.36) KMT2AMEN1MAPTMCL1DPP4
SCHEMBL25849597 0.88 DPP4 (0.34) ALDH1A1SMN1; SMN2MAPTDPP4NR1H2
SCHEMBL25849589 0.87 DPP4 (0.34) DPP4NR1H2NR1H3KRASANPEP
SCHEMBL25849592 0.87 DPP4 (0.34) DPP4NR1H2NR1H3ANPEP
SCHEMBL25849838 0.86 TP53 (0.40) TP53KMT2AMEN1ALDH1A1POLB
SCHEMBL25850997 0.86 TP53 (0.39) TP53KMT2AMEN1ALDH1A1POLB
SCHEMBL25849595 0.85 USP8 (0.34) KMT2AMEN1PKMDPP4NR1H2
SCHEMBL23337591 0.85 DPP4 (0.39) KMT2AMEN1ALDH1A1RAB9AKDM4E
SCHEMBL25849586 0.85 DPP4 (0.41) KMT2AMEN1ALDH1A1RAB9ASMN1; SMN2

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-20230232713-A1 PHOTOELECTRIC CONVERSION ELEMENT, IMAGING ELEMENT, OPTICAL SENSOR, AND COMPOUND FUJIFILM CORPORATION (JP) 2023-07-20 US disclosed