SCHEMBL8124267

SCHEMBL8124267

Cc1ccc(Cl)cc1N1CN(C(C)C)CN(C)C1=S

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
USP2 O75604 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.33
CYP3A4 P08684 1/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
AVPR1A P37288 1/20 0.33
NR1H4 Q96RI1 1/20 0.32

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
SCHEMBL8119583 0.83 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ANPSR1USP2
SCHEMBL8126427 0.80 CYP3A4 (0.47) ALDH1A1MEN1KMT2ANPSR1USP2
SCHEMBL8125197 0.78 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ATSHRNPSR1
SCHEMBL7951448 0.78 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ATSHRNPSR1
SCHEMBL11431397 0.78 ALDH1A1 (0.36) ALDH1A1KMT2ANPSR1CYP3A4HTT
SCHEMBL8129633 0.74 LMNA (0.44) ALDH1A1MEN1KMT2ATSHRUSP2
SCHEMBL7649121 0.74 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ATSHRNPSR1
SCHEMBL8127530 0.74 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ATSHRNPSR1
SCHEMBL8133210 0.73 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ANPSR1USP2
SCHEMBL7655761 0.71 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ATSHRNPSR1

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
US-6160114-A USEFUL FOR THE TREATMENT OF ATHEROSCLEROTIC CONDITIONS AND CORONARY HEART DISEASE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-12 US disclosed