SCHEMBL7362067

SCHEMBL7362067

Cc1ccc2[nH]c(C)c(C(=O)CCc3ccc(C(=N)N)cc3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.49
F10 P00742 2/20 0.49
MAPT P10636 4/20 0.44
ALDH1A1 P00352 2/20 0.44
MITF O75030 1/20 0.43
SLC5A1 P13866 1/20 0.42
SLC5A2 P31639 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
ITGB3 P05106 3/20 0.40
ITGA2B P08514 3/20 0.40
ALOX15 P16050 1/20 0.39
RAB9A P51151 1/20 0.38
EGFR P00533 1/20 0.38
RECQL P46063 1/20 0.38
KLK1 P06870 1/20 0.38
KLK5 Q9Y337 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38

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
SCHEMBL7357066 0.78 KDM4E (0.42) F2F10MAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7355830 0.78 ALDH1A1 (0.46) F2F10MAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7354952 0.77 PLAU (0.40) F2F10MAPTLMNAPLAU
Hydrochloric Acid SCHEMBL7358442 0.77 ALDH1A1 (0.45) F2F10MAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7350491 0.77 ALDH1A1 (0.45) F2F10MAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7350339 0.76 SIRT1 (0.41) F2F10MAPTALDH1A1MITF
Hydrochloric Acid SCHEMBL7362315 0.76 F2 (0.39) F2F10MAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7350935 0.76 ALDH1A1 (0.42) F2F10MAPTALDH1A1KDM4E
Iodide SCHEMBL7355199 0.76 ALDH1A1 (0.42) F2F10MAPTALDH1A1KDM4E
SCHEMBL7360233 0.76 KEAP1 (0.38) F2F10MAPTALDH1A1KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999028297-A1 SUBSTITUTED INDOLES, HAVING A THROMBIN INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-06-10 WO disclosed