SCHEMBL9767613

SCHEMBL9767613

c1ccc(CNc2cnccc2N2CCc3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 8/20 0.47
KDM6B O15054 2/20 0.47
KDM4E B2RXH2 1/20 0.47
KDM4A O75164 1/20 0.47
KDM4D Q6B0I6 1/20 0.47
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
KDM5B Q9UGL1 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HDAC1 Q13547 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
ALDH1A1 P00352 3/20 0.40

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
SCHEMBL9767604 0.80 ALOX15 (0.51) KDM4CKDM6BMKNK1MKNK2SMN1; SMN2
SCHEMBL9191760 0.74 ROCK1 (0.50) MKNK1MKNK2SMN1; SMN2HTTALDH1A1
SCHEMBL9193973 0.71 ROCK1 (0.50) MKNK1MKNK2SMN1; SMN2HTTALDH1A1
SCHEMBL2580726 0.71 PDE5A (0.62) KDM4ENPSR1ALDH1A1MEN1KMT2A
SCHEMBL16489591 0.70 KDM4C (0.60) KDM4CKDM6BKDM4EKDM4AKDM4D
SCHEMBL5752590 0.70 TRPA1 (0.49) MKNK1MKNK2SMN1; SMN2HDAC1ALDH1A1
SCHEMBL9785107 0.70 KDM6B (0.48) KDM4CKDM6BKDM4EMKNK1MKNK2
SCHEMBL26103577 0.70 SMN1; SMN2 (0.48) MKNK1MKNK2SMN1; SMN2ALDH1A1MEN1
SCHEMBL9196015 0.68 ALDH1A1 (0.52) KDM4CKDM4ESMN1; SMN2GRIN2DGRIN3B
SCHEMBL11445253 0.68 KCNQ2 (0.65) SMN1; SMN2HTTNPSR1ALDH1A1MEN1

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
US-4992448-A Benzocycloalkylaminopyridinamines and related compounds as topical antiinflammatory agents for the treatment of skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-02-12 US claimed
US-5037835-A Benzocycloalkylaminopyridinamines and related compounds as topical antiinflammatory agents for the treatment of skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-08-06 US disclosed
EP-0428878-A2 Benzocycloalkylaminopyridinamines and related compounds, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-05-29 EP disclosed
US-4992448-A Benzocycloalkylaminopyridinamines and related compounds as topical antiinflammatory agents for the treatment of skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-02-12 US disclosed