SCHEMBL7724959

SCHEMBL7724959

CSc1ccc(NC(=O)CBr)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
LMNA P02545 4/20 0.51
NOX1 Q9Y5S8 1/20 0.51
MAPT P10636 4/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
NPSR1 Q6W5P4 2/20 0.49
MITF O75030 1/20 0.49
XBP1 P17861 1/20 0.49
NOD2 Q9HC29 1/20 0.49
KMT2A Q03164 5/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
FPR2 P25090 1/20 0.48
IDO1 P14902 1/20 0.47
MEN1 O00255 3/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL15267699 0.84 KMT2A (0.60) ALDH1A1LMNAMAPTRAB9ANPC1
SCHEMBL13602760 0.83 ALDH1A1 (0.53) ALDH1A1LMNANOX1MAPTRAB9A
SCHEMBL13370416 0.83 KMT2A (0.65) ALDH1A1LMNANOX1MAPTRAB9A
SCHEMBL6390723 0.81 CA1 (0.54) ALDH1A1LMNANOX1MAPTRAB9A
SCHEMBL7289846 0.81 RAB9A (0.73) ALDH1A1LMNANOX1MAPTRAB9A
SCHEMBL14799129 0.81 ALDH1A1 (0.56) ALDH1A1LMNANOX1MAPTRAB9A
SCHEMBL7827838 0.79 CYP1A1 (0.64) ALDH1A1LMNAMAPTRAB9ANPC1
SCHEMBL11638641 0.79 SMN1; SMN2 (0.59) ALDH1A1LMNAMAPTRAB9ANPC1
SCHEMBL12807727 0.79 GAA (0.61) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL2188394 0.79 POLB (0.73) ALDH1A1RAB9ANPC1NPSR1KMT2A

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-6403586-B1 Pyridazine derivatives and drugs containing the same as the active ingredient KOWA CO., LTD. (JP) 2002-06-11 US disclosed
EP-1061077-A1 NOVEL PYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Kowa Co., Ltd. (JP) 2000-12-20 EP disclosed