SCHEMBL9469725

SCHEMBL9469725

Nc1cc(C(F)(F)F)ccc1C1Cc2ccccc2N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.44
CTSD P07339 6/20 0.40
ALDH1A1 P00352 5/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
HDAC11 Q96DB2 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
PNMT P11086 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL9469084 0.82 AR (0.47) ARALDH1A1GAAMAPTL3MBTL1
SCHEMBL9469119 0.78 AR (0.54) ARGAAMAPTKDM4EMEN1
SCHEMBL9469811 0.70 AR (0.47) ARALDH1A1GAAMAPTKDM4E
SCHEMBL9469797 0.70 AR (0.47) ARCTSDALDH1A1GAAMAPT
SCHEMBL9469090 0.70 AR (0.47) ARALDH1A1GAAMAPTMEN1
SCHEMBL9469078 0.69 AR (0.48) ARALDH1A1GAAMAPTMEN1
SCHEMBL26613523 0.69 HTR2C (0.48) ALDH1A1MEN1KMT2APARP1PARP2
SCHEMBL29746117 0.69 HTR2C (0.48) ALDH1A1MEN1KMT2APARP1PARP2
SCHEMBL9469546 0.68 AR (0.47) ARGAAMAPTKDM4EMEN1
SCHEMBL9469064 0.68 HTR2A (0.45) ARALDH1A1GAAMAPTKDM4E

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