SCHEMBL25199891

SCHEMBL25199891

O=c1on(-c2ccccc2)c2c(-c3cc4ccccc4[nH]3)cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.46
▸ CHEK1 O14757 1/20 0.46
▸ AURKA O14965 1/20 0.43
▸ BRD4 O60885 2/20 0.42
▸ CREBBP Q92793 2/20 0.42
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ HPGD P15428 4/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PARP1 P09874 2/20 0.38
▸ ITK Q08881 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36

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
SCHEMBL722383 0.78 HPGD (0.40) KDRCHEK1BRD4MEN1KMT2A
SCHEMBL8776952 0.76 BRD4 (0.40) BRD4MEN1KMT2AKDM4EALDH1A1
SCHEMBL10621402 0.75 ATM (0.38) KDRCHEK1AURKABRD4MEN1
SCHEMBL10176240 0.73 KDR (0.61) KDRCHEK1AURKABRD4CREBBP
SCHEMBL10776660 0.71 MAPT (0.42) CHEK1AURKABRD4MEN1KMT2A
SCHEMBL31591007 0.70 KDR (0.58) KDRCHEK1AURKAMEN1KMT2A
SCHEMBL2187575 0.70 KDR (0.58) KDRCHEK1AURKAMEN1KMT2A
SCHEMBL29375783 0.70 KDR (0.58) KDRCHEK1AURKAMEN1KMT2A
Benzene SCHEMBL27629233 0.70 RAB9A (0.69) KDRCHEK1AURKAMEN1KMT2A
SCHEMBL11363931 0.68 KDR (0.63) KDRCHEK1AURKAMEN1KMT2A

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-2023085225-A1 METHOD FOR MANUFACTURING RECYCLED RESIN COMPOSITION 住友化学株式会社 2023-05-19 — — WO disclosed
Send feedback