SCHEMBL8117993

SCHEMBL8117993

Cc1cc(Cl)ccc1N1CN(C)CN(C(C)C)C1=S

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
AKR1C3 P42330 1/20 0.34
ALDH1A1 P00352 1/20 0.34
P2RX7 Q99572 1/20 0.33
MAPK14 Q16539 1/20 0.32
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 1/20 0.31
AVPR1A P37288 1/20 0.31

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
SCHEMBL8125197 0.89 ALDH1A1 (0.37) POLBALDH1A1P2RX7KMT2AMAPT
SCHEMBL8118086 0.82 ALDH1A1 (0.36) POLBAKR1C3ALDH1A1P2RX7MAPK14
SCHEMBL8134613 0.81 POLB (0.35) POLBAKR1C3ALDH1A1P2RX7MAPK14
SCHEMBL7652778 0.80 LMNA (0.40) POLBAKR1C3ALDH1A1P2RX7MAPK14
SCHEMBL8119583 0.71 ALDH1A1 (0.40) POLBALDH1A1KMT2AMAPTNPSR1
SCHEMBL8127530 0.71 ALDH1A1 (0.39) ALDH1A1KMT2AMAPTNPSR1LMNA
SCHEMBL8133210 0.70 ALDH1A1 (0.40) ALDH1A1KMT2AMAPTNPSR1LMNA
SCHEMBL7652026 0.69 AKR1C3 (0.40) POLBAKR1C3ALDH1A1MAPK14KMT2A
SCHEMBL7655761 0.69 ALDH1A1 (0.42) ALDH1A1P2RX7KMT2AMAPTNPSR1
SCHEMBL11417296 0.68 ALDH1A1 (0.40) POLBALDH1A1KMT2AMAPTNPSR1

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