SCHEMBL28051569

SCHEMBL28051569

N#Cc1c(-c2ccccc2)oc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ ALOX15 P16050 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ KMT2A Q03164 6/20 0.49
▸ KDM4E B2RXH2 5/20 0.49
▸ MEN1 O00255 5/20 0.49
▸ LMNA P02545 2/20 0.49
▸ CA12 O43570 2/20 0.49
▸ CA1 P00915 2/20 0.49
▸ CA2 P00918 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ ABCB1 P08183 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ AR P10275 2/20 0.49
▸ CYP1B1 Q16678 2/20 0.49
▸ CA9 Q16790 2/20 0.49
▸ ADORA3 P0DMS8 2/20 0.49
▸ DDR2 Q16832 1/20 0.49
▸ CALM1 P0DP23 1/20 0.49
▸ PKM P14618 1/20 0.49

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
SCHEMBL592430 0.76 CA1 (0.55) ALDH1A1ALOX15HSD17B10KMT2AKDM4E
Ammonia Solution, Strong SCHEMBL28686299 0.75 CA1 (0.53) ALDH1A1ALOX15HSD17B10KMT2AKDM4E
SCHEMBL11552940 0.74 ADORA2A (0.51) ALDH1A1ALOX15HSD17B10KMT2AKDM4E
SCHEMBL15455885 0.74 ALDH1A1 (0.40) ALDH1A1ALOX15HSD17B10KMT2AKDM4E
SCHEMBL12681340 0.73 ALDH1A1 (0.53) ALDH1A1ALOX15HSD17B10KMT2AKDM4E
SCHEMBL10638809 0.73 ALDH1A1 (0.44) ALDH1A1ALOX15HSD17B10KMT2AKDM4E
SCHEMBL11475587 0.73 KDM4E (0.52) ALDH1A1HSD17B10KMT2AKDM4EMEN1
SCHEMBL25926428 0.73 KDM4E (0.42) ALDH1A1HSD17B10KMT2AKDM4EMEN1
SCHEMBL17185709 0.73 KDM4E (0.43) ALDH1A1HSD17B10KMT2AKDM4EMEN1
SCHEMBL5618619 0.73 PDE9A (0.51) ALDH1A1ALOX15HSD17B10KMT2AKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112358459-B Preparation method of benzofuran compound 心远(广州)药物研究有限公司 2023-01-17 — — CN disclosed
CN-112358459-A Preparation method of benzofuran compound 心远(广州)药物研究有限公司 2021-02-12 — — CN disclosed
CN-110894192-A Preparation method of benzofuran compound 心远(广州)药物研究有限公司 2020-03-20 — — CN disclosed
CN-105399710-A A synthetic method of 2-phenyl-3-cyano benzofuran compounds UNIV ZHEJIANG 2016-03-16 — — CN disclosed
CN-105399710-A A synthetic method of 2-phenyl-3-cyano benzofuran compounds UNIV ZHEJIANG 2016-03-16 — — CN disclosed
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