SCHEMBL9469701

SCHEMBL9469701

Nc1ccc(Br)cc1C1Cc2c(Cl)cccc2N1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 4/20 0.35
HTR1A P08908 2/20 0.35
HTR2C P28335 2/20 0.35
HTR7 P34969 2/20 0.35
HTR1D P28221 1/20 0.35
HTR2A P28223 1/20 0.35
HTR3A P46098 1/20 0.35
MAPT P10636 1/20 0.34
EPAS1 Q99814 2/20 0.33
EGFR P00533 1/20 0.32
FBP1 P09467 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM1A O60341 2/20 0.32
RAB9A P51151 1/20 0.31

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
SCHEMBL9469201 0.82 MAPT (0.43) HTR5AHTR1AHTR2CHTR7HTR1D
SCHEMBL9469811 0.78 AR (0.47) HTR2CHTR2AMAPTKDM1ARAB9A
SCHEMBL9469797 0.67 AR (0.47) MAPTMEN1KMT2A
SCHEMBL11170515 0.64 BRD4 (0.44) HTR5AHTR1AHTR2CHTR7HTR1D
SCHEMBL9469027 0.62 HTR3E (0.39) HTR5AHTR3AMAPTMEN1KMT2A
SCHEMBL9469090 0.61 AR (0.47) HTR2AMAPTMEN1KMT2ARAB9A
SCHEMBL31586961 0.61 NOS3 (0.43) HTR2CHTR7HTR2AMAPTMEN1
SCHEMBL20392762 0.61 NOS3 (0.43) HTR2CHTR7HTR2AMAPTMEN1
SCHEMBL12826365 0.60 MAPT (0.42) MAPTEPAS1MEN1NPC1KMT2A
SCHEMBL160438 0.59

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