SCHEMBL14395706

SCHEMBL14395706

C=C(NCC)Nc1nc2cc(C(=O)NOC(C)(C)C)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPC1 O15118 7/20 0.41
▸ RAB9A P51151 7/20 0.41
▸ TP53 P04637 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ PKM P14618 4/20 0.40
▸ KLF5 Q13887 3/20 0.40
▸ ABL1 P00519 8/20 0.39
▸ MTOR P42345 1/20 0.39
▸ OPRK1 P41145 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
SCHEMBL14097418 0.90 ABL1 (0.49) ABL1
SCHEMBL14395645 0.84 CYP3A4 (0.51) SMN1; SMN2MEN1KMT2APOLBHTT
SCHEMBL14097403 0.71 ABL1 (0.60) ABL1
SCHEMBL20685386 0.71 MTOR (0.52) SMN1; SMN2MEN1KMT2AHTTABL1
SCHEMBL14395370 0.69 ABL1 (0.51) ABL1
SCHEMBL13350140 0.68 LCK (0.55) SMN1; SMN2MEN1KMT2APOLBHTT
SCHEMBL6784411 0.68 LCK (0.57) SMN1; SMN2MEN1KMT2AHTTNPC1
SCHEMBL12393042 0.68 LCK (0.57) SMN1; SMN2MEN1KMT2AHTTNPC1
SCHEMBL6791011 0.67 LCK (0.56) SMN1; SMN2MEN1KMT2AHTTNPC1
SCHEMBL12392436 0.66 RAB9A (0.51) SMN1; SMN2MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341769-B1 BACTERIAL GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMA (US) 2007-10-17 — — EP disclosed
Send feedback