SCHEMBL9469075

SCHEMBL9469075

COc1ccc(N)c(-c2cc3ccccc3[nH]2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.61
MAPT P10636 5/20 0.61
RAB9A P51151 5/20 0.61
NPC1 O15118 4/20 0.61
CASP3 P42574 1/20 0.61
SENP8 Q96LD8 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
SENP6 Q9GZR1 1/20 0.61
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 3/20 0.57
HPGD P15428 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KDR P35968 2/20 0.50
CHEK1 O14757 1/20 0.50
PDGFRB P09619 2/20 0.48
PDGFRA P16234 2/20 0.48
FLT3 P36888 2/20 0.48
ITK Q08881 3/20 0.47

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
SCHEMBL9469072 0.82 KDM4E (0.64) KDM4EMAPTRAB9ANPC1CASP3
SCHEMBL11478986 0.82 KDM4E (0.67) KDM4EMAPTRAB9ANPC1CASP3
SCHEMBL31053137 0.81 KDM4E (0.63) KDM4EMAPTRAB9ANPC1CASP3
SCHEMBL7049328 0.81 KDM4E (0.72) KDM4EMAPTRAB9ANPC1CASP3
SCHEMBL4881053 0.81 KDM4E (0.63) KDM4EMAPTRAB9ANPC1CASP3
SCHEMBL11650959 0.81 RAB9A (0.63) KDM4EMAPTRAB9ANPC1CASP3
SCHEMBL221259 0.77 KDR (0.58) KDM4EMAPTRAB9ANPC1CASP3
SCHEMBL29361867 0.77 KDR (0.58) KDM4EMAPTRAB9ANPC1CASP3
SCHEMBL9469830 0.77 RAB9A (0.58) KDM4EMAPTRAB9ANPC1CASP3
SCHEMBL15942398 0.77 ESR1 (0.52) KDM4EMAPTRAB9ANPC1CASP3

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-5166170-A 2-(AMINOARYL) INDOLES AND INDOLINES AS TOPICAL ANTIINFLAMMATORY AGENTS FOR THE TREATMENT OF SKIN DISORDERS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-11-24 US claimed
US-5214059-A Dermatitis, psoriasis HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-05-25 US disclosed
US-5166170-A 2-(AMINOARYL) INDOLES AND INDOLINES AS TOPICAL ANTIINFLAMMATORY AGENTS FOR THE TREATMENT OF SKIN DISORDERS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-11-24 US disclosed
EP-0406734-A2 2-(Aminoaryl)indoles and indolines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-01-09 EP disclosed