SCHEMBL14433947

SCHEMBL14433947

S=C(NCCc1cccs1)Nc1cccc(Cl)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.77
MEN1 O00255 4/20 0.77
KMT2A Q03164 4/20 0.77
ALDH1A1 P00352 7/20 0.61
MAPT P10636 4/20 0.61
NPSR1 Q6W5P4 2/20 0.61
LMNA P02545 7/20 0.58
HTT P42858 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALPL P05186 1/20 0.55
ALPI P09923 1/20 0.55
ALPG P10696 1/20 0.55
ALOX12 P18054 1/20 0.55
POLB P06746 1/20 0.54
MAOB P27338 2/20 0.53
PLA2G1B P04054 1/20 0.53
ATG4B Q9Y4P1 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL11050574 0.93 HPGD (0.73) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL4926246 0.85 MEN1 (0.64) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL11408582 0.84 HPGD (0.73) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL6965791 0.79 LMNA (0.74) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL14434222 0.76 ALDH1A1 (1.00) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL14433475 0.76 LMNA (0.64) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL7018134 0.75 KMT2A (0.56) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL29481122 0.73 IDO1 (0.79) MEN1KMT2AALDH1A1MAPTMAOB
SCHEMBL26991 0.73 IDO1 (0.79) MEN1KMT2AALDH1A1MAPTMAOB
SCHEMBL18292385 0.73 LMNA (1.00) KMT2AALDH1A1MAPTNPSR1LMNA

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
WO-2007076055-A9 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS ENTREMED INC (US) 2007-08-30 WO disclosed
WO-2007076055-A2 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS ENTREMED, INC. (US) 2007-07-05 WO disclosed