SCHEMBL9080934

SCHEMBL9080934

N#CCC(=O)c1cccc(I)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.34
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 3/20 0.34
KCNH2 Q12809 2/20 0.34
GAA P10253 2/20 0.34
HSD17B10 Q99714 1/20 0.34
RECQL P46063 1/20 0.34
ABL1 P00519 1/20 0.34
HTT P42858 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HPGD P15428 1/20 0.33
MCL1 Q07820 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
SCHEMBL7380731 0.83 ERCC5 (0.56) MAPTMEN1KMT2AERCC5FEN1
SCHEMBL4941615 0.82 MAPT (0.49) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL395494 0.76 MAPT (0.56) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL135637 0.75 MAPT (0.56) MAPTMEN1KMT2AERCC5FEN1
SCHEMBL30440405 0.73 MAPT (0.48) MAPTMEN1KMT2AERCC5FEN1
SCHEMBL2089796 0.73 MAPT (0.49) MAPTMEN1KMT2AERCC5FEN1
SCHEMBL16253911 0.73 MAPT (0.48) MAPTMEN1KMT2AERCC5FEN1
SCHEMBL2409184 0.72 TSHR (0.63) MAPTMEN1KMT2ATSHRALDH1A1
SCHEMBL28056881 0.72 ALDH1A1 (0.43) MEN1KMT2AERCC5FEN1CYP1A2
SCHEMBL30991215 0.71 TSHR (0.41) MEN1KMT2ATSHRALDH1A1KDM4E

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-5492906-A ANTIASTHMATICS, ANTIALLERGENS, GASTROINTESTINAL PROTECTORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1996-02-20 US disclosed
US-5049559-A Thieno-triazolo-diazepine derivatives useful as anti-ischemic agents SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1991-09-17 US disclosed