SCHEMBL9469201

SCHEMBL9469201

Nc1ccccc1C1Cc2c(Cl)cccc2N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
HTR5A P47898 6/20 0.39
HTR2C P28335 5/20 0.39
HTR1A P08908 4/20 0.39
HTR7 P34969 4/20 0.39
HTR1D P28221 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
HTR2A P28223 2/20 0.39
HTR3A P46098 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 2/20 0.37
PBRM1 Q86U86 3/20 0.36
TRPM5 Q9NZQ8 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL9469701 0.82 HTR5A (0.35) MAPTHTR5AHTR2CHTR1AHTR7
SCHEMBL9469027 0.76 HTR3E (0.39) MAPTHTR5AMEN1GAAKMT2A
SCHEMBL9469119 0.76 AR (0.54) MAPTMEN1GAAKMT2ATSHR
SCHEMBL7898965 0.69 MEN1 (0.46) MAPTMEN1GAAKMT2APOLB
SCHEMBL9469108 0.69 ESR1 (0.46) HTR2A
SCHEMBL11170515 0.68 BRD4 (0.44) HTR5AHTR2CHTR1AHTR7HTR1D
SCHEMBL9469883 0.68 AR (0.39) MAPTMEN1GAAKMT2ASMN1; SMN2
SCHEMBL9469797 0.66 AR (0.47) MAPTMEN1GAAKMT2ATSHR
SCHEMBL3467880 0.66 F11 (0.35) MAPTKDM4E
SCHEMBL30542609 0.66 PBRM1 (0.41) MAPTHTR5AHTR2CHTR1AHTR7

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