SCHEMBL9469019

SCHEMBL9469019

CC(C)(C)C(=O)Nc1ccc(Cl)cc1C1Cc2ccccc2N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 3/20 0.42
USP2 O75604 1/20 0.42
GLA P06280 1/20 0.42
TSHR P16473 1/20 0.42
AR P10275 1/20 0.38
NPC1 O15118 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
TAS1R2 Q8TE23 2/20 0.36
NPY5R Q15761 2/20 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
SCHEMBL9469656 0.87 EPHX2 (0.45) MAPTARKDM4EGAATAS1R3
SCHEMBL9469154 0.86 CETP (0.43) RAB9AMEN1KMT2AMAPTUSP2
SCHEMBL9469366 0.81 AR (0.44) RAB9AMAPTGLATSHRAR
SCHEMBL9469116 0.78 CETP (0.39) RAB9AMEN1KMT2AMAPTUSP2
SCHEMBL9469099 0.73 USP2 (0.44) RAB9AMEN1KMT2AMAPTUSP2
SCHEMBL9469797 0.72 AR (0.47) MEN1KMT2AMAPTGLATSHR
SCHEMBL9469934 0.70 AR (0.43) MEN1KMT2AMAPTTSHRAR
SCHEMBL3792617 0.69 KMT2A (0.58) RAB9AMEN1KMT2AMAPTNPC1
SCHEMBL9469542 0.68 ALDH1A1 (0.47) RAB9AMEN1KMT2AMAPTUSP2
SCHEMBL14254880 0.68 PDK1 (0.69) RAB9AMEN1KMT2AMAPTUSP2

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