SCHEMBL9469698

SCHEMBL9469698

CN1c2ccccc2CC1c1ccccc1NC(=O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
TSHR P16473 3/20 0.43
USP2 O75604 1/20 0.43
GLA P06280 1/20 0.43
CETP P11597 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 2/20 0.42
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MTNR1A P48039 2/20 0.38
MTNR1B P49286 1/20 0.38
KCNQ2 O43526 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
LMNA P02545 2/20 0.37

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
SCHEMBL9469128 0.85 NOTUM (0.49) MAPTTSHRUSP2GLACETP
SCHEMBL9469120 0.79 ALDH1A1 (0.42) MAPTTSHRUSP2GLASMN1; SMN2
SCHEMBL9469099 0.73 USP2 (0.44) MAPTTSHRUSP2GLASMN1; SMN2
SCHEMBL9469442 0.72 ALDH1A1 (0.42) MAPTTSHRL3MBTL1ALDH1A1LMNA
SCHEMBL9469154 0.71 CETP (0.43) MAPTTSHRUSP2GLACETP
SCHEMBL9469138 0.71 ALDH1A1 (0.48) MAPTTSHRSMN1; SMN2GAAMAPK1
SCHEMBL5706504 0.69 CETP (0.71) TSHRCETPSMN1; SMN2L3MBTL1MEN1
SCHEMBL13556439 0.68 CETP (0.46) MAPTTSHRUSP2GLACETP
SCHEMBL18701666 0.67 ALDH1A1 (0.62) MAPTTSHRUSP2GLASMN1; SMN2
SCHEMBL83107 0.67 CETP (0.48) TSHRCETPMEN1KMT2AHSD17B10

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