SCHEMBL9469103

SCHEMBL9469103

Nc1cc(C(F)(F)F)ccc1-c1cc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.46
CHEK1 O14757 1/20 0.46
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 4/20 0.43
MAPT P10636 4/20 0.43
KMT2A Q03164 4/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KIF11 P52732 3/20 0.43
AOC3 Q16853 2/20 0.42
GAA P10253 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL2563486 0.80 KDR (0.53) KDRCHEK1RAB9ANPC1ALDH1A1
SCHEMBL29419326 0.80 KDR (0.53) KDRCHEK1RAB9ANPC1ALDH1A1
SCHEMBL29733654 0.80 KDR (0.53) KDRCHEK1RAB9ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL3675763 0.78 KDR (0.51) KDRCHEK1RAB9ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL31035997 0.78 KDR (0.51) KDRCHEK1RAB9ANPC1ALDH1A1
SCHEMBL8965829 0.78 RAB9A (0.58) KDRCHEK1RAB9ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL5683292 0.78 KDR (0.51) KDRCHEK1RAB9ANPC1ALDH1A1
SCHEMBL29361867 0.77 KDR (0.58) KDRCHEK1RAB9ANPC1ALDH1A1
SCHEMBL221259 0.77 KDR (0.58) KDRCHEK1RAB9ANPC1ALDH1A1
SCHEMBL9469591 0.77 RAB9A (0.58) KDRCHEK1RAB9ANPC1ALDH1A1

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