SCHEMBL24521040

SCHEMBL24521040

c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cc6c(c7ccccc57)Cc5cccc(-c7ccc8ccccc8c7)c5-6)cc4)n3)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
GPR84 Q9NQS5 1/20 0.32
HSD17B1 P14061 2/20 0.32
HSD17B2 P37059 2/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
EGFR P00533 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
SCHEMBL24521037 0.97 MET (0.36) METKDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL24520922 0.96 ALDH1A1 (0.36) METKDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL24521092 0.92 ADORA2A (0.37) KDM4EALDH1A1TP53SMN1; SMN2HSD17B10
SCHEMBL24521098 0.92 CYP1A1 (0.42) METKDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL24521247 0.85 ALDH1A1 (0.39) KDM4EALDH1A1TP53SMN1; SMN2HSD17B10
SCHEMBL24521004 0.85 CYP1A2 (0.38) KDM4EALDH1A1TP53HSD17B10MEN1
SCHEMBL24521101 0.84 MEN1 (0.39) KDM4EALDH1A1SMN1; SMN2MEN1CYP1A2
SCHEMBL24521073 0.83 CYP1A1 (0.37) METKDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL24521105 0.83 MEN1 (0.39) KDM4EALDH1A1SMN1; SMN2MEN1CYP1A2
SCHEMBL24521206 0.83 SMN1; SMN2 (0.35) KDM4EALDH1A1TP53SMN1; SMN2HSD17B10

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
EP-4015515-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT Materials Co., Ltd. (KR) 2022-06-22 EP disclosed