SCHEMBL7569212

SCHEMBL7569212

Clc1ccc(-c2ccc(Nc3nccs3)nc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 6/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
HTT P42858 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
KDM4E B2RXH2 4/20 0.43
NPC1 O15118 3/20 0.43
NFKB1 P19838 3/20 0.43
RAB9A P51151 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43

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
SCHEMBL27789171 0.79 NPC1 (0.48) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL899534 0.75 SMN1; SMN2 (0.61) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL2658364 0.74 ALDH1A1 (0.47) SMN1; SMN2LMNAMEN1KMT2ACASP3
SCHEMBL16217142 0.74 RAB9A (0.52) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL26686536 0.71 MAPT (0.49) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL27791948 0.71 NPC1 (0.50) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL2066324 0.71 FFAR2 (0.40) SMN1; SMN2MAPTKDM4ERAB9AALDH1A1
SCHEMBL11472883 0.70 LTA4H (0.47) SMN1; SMN2MAPTMEN1KMT2ACYP1A2
SCHEMBL2066400 0.69 MEN1 (0.56) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL10253385 0.69 MAPT (0.44) SMN1; SMN2LMNAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218376-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2002-11-20 EP disclosed
EP-1218376-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2002-07-03 EP disclosed
WO-2001017995-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-03-15 WO disclosed