SCHEMBL28003023

SCHEMBL28003023

CN1c2ccccc2N(C)C1C(=O)C1N(C)c2ccccc2N1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44
▸ EGFR P00533 1/20 0.43
▸ PDGFRB P09619 1/20 0.38
▸ PTPN2 P17706 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ P2RX4 Q99571 2/20 0.37
▸ P2RX1 P51575 1/20 0.37
▸ P2RX3 P56373 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ NOTUM Q6P988 3/20 0.37
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GPR3 P46089 1/20 0.36
▸ NOX1 Q9Y5S8 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ MYC P01106 1/20 0.35

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
SCHEMBL28283765 0.84 HDAC4 (0.43) HDAC4HDAC7HDAC5EGFRPDGFRB
SCHEMBL29843820 0.74 HDAC4 (0.37) HDAC4HDAC7HDAC5EGFRP2RX4
SCHEMBL21250753 0.73 PDGFRB (0.46) HDAC4HDAC7HDAC5EGFRPDGFRB
SCHEMBL27593684 0.73 ALDH1A1 (0.36) HDAC4HDAC7HDAC5KDM4EP2RX4
SCHEMBL28979084 0.73 CASP1 (0.37) HDAC4HDAC7HDAC5EGFRKDM4E
Iodide SCHEMBL2347798 0.73 HDAC4 (0.36) HDAC4HDAC7HDAC5EGFRP2RX4
Iodide SCHEMBL2347792 0.73 HDAC4 (0.36) HDAC4HDAC7HDAC5EGFRP2RX4
SCHEMBL31324048 0.72 PDGFRB (0.42) HDAC4HDAC7HDAC5EGFRPDGFRB
SCHEMBL28283868 0.72 MTNR1A (0.40) HDAC4HDAC7HDAC5EGFRKDM4E
SCHEMBL29250274 0.70 POLB (0.44) HDAC4HDAC7HDAC5EGFRNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113423839-A Enzymatic hexose amination of lactose 巴斯夫欧洲公司 2021-09-21 — — CN disclosed
CN-111196817-B Tricyclic compounds as BRPF1 inhibitors 四川大学华西医院 2021-06-11 — — CN disclosed
CN-111196817-A Tricyclic compounds as BRPF1 inhibitors 四川大学华西医院 2020-05-26 — — CN disclosed
CN-102675897-B Thiourea/urea aromatic amine dye, as well as preparation method and application thereof UNIV SHAANXI NORMAL 2015-04-29 — — CN disclosed
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