SCHEMBL8307733

SCHEMBL8307733

Nc1ccc(C(=O)c2ncc[nH]2)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.64
JAK2 O60674 1/20 0.46
TYK2 P29597 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F2RL1 P55085 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
MAOA P21397 1/20 0.39
HTR2C P28335 1/20 0.39
CHRNA4 P43681 1/20 0.39
HTR3A P46098 1/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
GLA P06280 1/20 0.38
BRAF P15056 2/20 0.36
HDAC1 Q13547 1/20 0.36
CRBN Q96SW2 1/20 0.36

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
SCHEMBL8306657 0.78 KMT2A (0.58) KMT2ANPC1RAB9AHTTSMN1; SMN2
SCHEMBL7090488 0.77 JAK2 (0.53) KMT2AJAK2TYK2SMN1; SMN2CHRM2
SCHEMBL9187082 0.76 KMT2A (0.59) KMT2ANPC1RAB9AHTTSMN1; SMN2
SCHEMBL7571479 0.74 JAK2 (0.44) KMT2AJAK2TYK2NPC1RAB9A
4-Aminophenol SCHEMBL2099615 0.73 NPC1 (0.50) KMT2ANPC1RAB9AHTTSMN1; SMN2
SCHEMBL7080355 0.73 MAPT (0.47) KMT2AJAK2TYK2NPC1RAB9A
SCHEMBL27805818 0.72 KMT2A (0.77) KMT2ANPC1RAB9AHTTSMN1; SMN2
SCHEMBL8309451 0.72 JAK2 (0.61) KMT2AJAK2TYK2NPC1RAB9A
SCHEMBL8305769 0.72 RAB9A (0.49) KMT2AJAK2TYK2NPC1RAB9A
SCHEMBL1324 0.71 NPC1 (0.62) KMT2ANPC1RAB9AHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 WO disclosed