SCHEMBL8084734

SCHEMBL8084734

CN(C)c1ccc(CSc2ccnc3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 2/20 0.40
TP53 P04637 1/20 0.40
NPC1 O15118 2/20 0.40
GAA P10253 2/20 0.40
RAB9A P51151 2/20 0.40
ACVR1 Q04771 1/20 0.38
ELANE P08246 1/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
HPGD P15428 2/20 0.38
KDM1A O60341 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL8084817 0.86 HTR2C (0.43) HTR2CHTR2BMAPTALDH1A1TDP1
SCHEMBL8084093 0.86 RXFP1 (0.39) ALDH1A1TDP1POLBNPC1GAA
SCHEMBL8076742 0.81 QPCT (0.41) ALDH1A1TDP1POLBGAAKDM1A
SCHEMBL8084097 0.78 HTR2C (0.48) HTR2CHTR2BMAPTALDH1A1HTT
SCHEMBL8076714 0.78 PRNP (0.34) POLBKDM4ECYP3A4RXFP1SYK
SCHEMBL24430006 0.74 L3MBTL1 (0.40) MAPTALDH1A1HTTTDP1PKM
SCHEMBL2816694 0.74 LOXL2 (0.47) MAPTPOLBELANEKDM4ELOXL2
SCHEMBL15922876 0.72 HDAC6 (0.60) HTR2CHTR2BMAPTALDH1A1HTT
SCHEMBL8090013 0.70 ALDH1A1 (0.42) MAPTALDH1A1HTTTDP1LMNA
SCHEMBL17378307 0.70 ACVR1 (0.60) HTR2CHTR2BMAPTALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057447-A BACTERICIDES FOR CAMPYLOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2000-05-02 US disclosed
EP-0926139-A1 QUINOLINE SULFIDE DERIVATIVES ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1999-06-30 EP disclosed