SCHEMBL8539618

SCHEMBL8539618

Clc1ccc(-c2ccc(C3=NC[C@H](c4ccccc4)O3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 6/20 0.50
HPGD P15428 6/20 0.50
CYP1A2 P05177 1/20 0.44
GUSB P08236 1/20 0.40
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.37
KDM4E B2RXH2 4/20 0.37
MAOB P27338 3/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35

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
SCHEMBL8539615 1.00 ATM (0.52) ATMSMN1; SMN2ALDH1A1HPGDCYP1A2
SCHEMBL1548278 0.86 ALDH1A1 (0.54) ATMSMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL28803834 0.83 ATM (0.46) ATMSMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL13885660 0.82 ALDH1A1 (0.51) ATMSMN1; SMN2ALDH1A1HPGDCYP1A2
SCHEMBL27907032 0.82 ALDH1A1 (0.51) ATMSMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL34460861 0.80 TSHR (0.50) ATMSMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL31158568 0.80 TSHR (0.50) ATMSMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL9790616 0.80 ATM (0.43) ATMSMN1; SMN2ALDH1A1HPGDCYP1A2
SCHEMBL27907027 0.78 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1HPGDMAPTMAOB
SCHEMBL31470938 0.75 MAOB (0.45) ATMSMN1; SMN2ALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0683156-B1 Acylated aminoalkanimidazoles and -triazoles CIBA GEIGY AG (CH) 1998-04-01 EP disclosed
US-5622982-A ENZYME INHIBITORS; ANTIINFLAMMATORY AGENTS SANDOZ LTD. (CH) 1997-04-22 US disclosed
EP-0683156-A1 Acylated aminoalkanimidazoles and -triazoles SANDOZ LTD. (CH) 1995-11-22 EP disclosed