SCHEMBL26704814

SCHEMBL26704814

N=C(c1ccccc1)c1ccncc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ KDM4D Q6B0I6 2/20 0.55
▸ KDM4C Q9H3R0 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ KDM6B O15054 1/20 0.55
▸ KDM4A O75164 1/20 0.55
▸ THRB P10828 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ GAA P10253 4/20 0.45
▸ GLA P06280 1/20 0.45
▸ F7 P08709 2/20 0.38
▸ F3 P13726 2/20 0.38
▸ F2 P00734 1/20 0.38
▸ F10 P00742 1/20 0.38
▸ F12 P00748 1/20 0.38
▸ PKM P14618 1/20 0.38

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
SCHEMBL16711075 0.79 ALDH1A1 (0.55) ALDH1A1KDM4EKMT2AKDM4DKDM4C
SCHEMBL1643213 0.79 ALDH1A1 (0.65) ALDH1A1KDM4EKMT2AKDM4DKDM4C
Hydrochloric Acid SCHEMBL16703122 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EKMT2AKDM4DKDM4C
Hydrochloric Acid SCHEMBL16703261 0.77 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2AKDM4DKDM4C
SCHEMBL2307166 0.77 MAPT (0.57) ALDH1A1KDM4EKMT2AMAPTTDP1
SCHEMBL8128501 0.75 KDM4E (0.59) ALDH1A1KDM4EKMT2AKDM4DKDM4C
SCHEMBL19353362 0.73 NPC1 (0.43) KDM4CF2F10HDAC3HDAC1
SCHEMBL19142257 0.73 KDM4E (0.57) ALDH1A1KDM4EKMT2AKDM4DKDM4C
Hydrochloric Acid SCHEMBL7960128 0.73 KDM4E (0.57) ALDH1A1KDM4EKMT2AKDM4DKDM4C
SCHEMBL27125227 0.73 ALDH1A1 (0.57) ALDH1A1KDM4EKMT2AKDM4DKDM4C

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-4265613-A1 BENZENE RING COMPOUND AND USE THEREOF Nanjing Shijiang Medicine Technology Co., Ltd (CN) 2023-10-25 — — EP disclosed
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