SCHEMBL3689968

SCHEMBL3689968

N#Cc1ccc2c(c1)C=NC=CN2Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
CXCR2 P25025 1/20 0.35
DRD2 P14416 5/20 0.35
DRD3 P35462 5/20 0.35
CYP19A1 P11511 4/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
AR P10275 1/20 0.34
CFTR P13569 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
MAOB P27338 1/20 0.33
TRPA1 O75762 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL6629933 0.78 LMNA (0.39) ALDH1A1CYP19A1KMT2A
SCHEMBL5804783 0.70 KDM4E (0.40) ALDH1A1CYP19A1CYP11B1CYP11B2
SCHEMBL3517642 0.67 ALDH1A1 (0.44) ALDH1A1DRD2DRD3CYP11B1
SCHEMBL6629608 0.66 HTR3E (0.36) CYP19A1CYP11B1CYP11B2KMT2A
SCHEMBL3524193 0.66 ELANE (0.36) ALDH1A1CYP19A1TRPA1KMT2A
SCHEMBL19915954 0.62 GRM2 (0.60) ALDH1A1CYP19A1KMT2ATSHR
SCHEMBL19848485 0.62 GRM2 (0.60) ALDH1A1CYP19A1KMT2ATSHR
SCHEMBL11754704 0.61 CYP19A1 (0.55) ALDH1A1CYP19A1ARCFTRKMT2A
SCHEMBL20888817 0.60 AR (0.39) ALDH1A1CXCR2DRD2DRD3AR
SCHEMBL19848516 0.59 CYP11B1 (0.60) ALDH1A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005089515-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 WO claimed
EP-0892797-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2004-10-20 EP claimed
EP-0892797-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-27 EP claimed
WO-1997030992-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-28 WO claimed
WO-2010057028-A9 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2010-09-02 WO disclosed
WO-2010057028-A2 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2010-05-20 WO disclosed
WO-2005089515-A9 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES BRIGHAM & WOMENS HOSPITAL (US) 2006-01-26 WO disclosed
WO-2005089515-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 WO disclosed
EP-0892797-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2004-10-20 EP disclosed
EP-0892797-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-27 EP disclosed
WO-1997030992-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-28 WO disclosed