SCHEMBL7803909

SCHEMBL7803909

CN1CCN(c2ccc(Br)c3ccc(C(=O)NCc4ccc(Cl)cc4)cc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CXCR3 P49682 2/20 0.47
KDM1A O60341 1/20 0.46
HDAC1 Q13547 1/20 0.46
MAPK14 Q16539 1/20 0.44
IDO1 P14902 2/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
KCNH2 Q12809 1/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
DDR1 Q08345 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HTR1D P28221 1/20 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
SCHEMBL7812251 0.88 KMT2A (0.46) KMT2ASMN1; SMN2NPSR1CXCR3KDM1A
SCHEMBL6308076 0.83 KMT2A (0.53) KMT2ASMN1; SMN2HTTNPSR1CXCR3
SCHEMBL4784235 0.75 KMT2A (0.51) KMT2ASMN1; SMN2HTTNPSR1KDM1A
SCHEMBL4783322 0.75 KMT2A (0.51) KMT2ASMN1; SMN2HTTNPSR1KDM1A
SCHEMBL7951589 0.74 KMT2A (0.51) KMT2ACXCR3MEN1HTR2A
SCHEMBL7943338 0.73 RXFP1 (0.59) KMT2ASMN1; SMN2HTTNPSR1TP53
SCHEMBL1331780 0.72 RAB9A (0.64) KMT2ASMN1; SMN2HTTNPSR1CXCR3
SCHEMBL30361175 0.72 ALDH1A1 (0.57) KMT2ASMN1; SMN2KDM1AHDAC1L3MBTL1
SCHEMBL7803775 0.71 KMT2A (0.46) KMT2ACXCR3CYP1A2HTR1DHTR1B
SCHEMBL8191864 0.71 ALDH1A1 (0.51) KMT2AHTTKDM1AHDAC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767782-B1 ARYL AND HETEROARYL ALKOXYNAPHTHALENE DERIVATIVES PFIZER (US) 2001-10-31 EP disclosed
US-6166020-A Aryl and heteroaryl alkoxynaphthalene derivatives PFIZER INC. (US) 2000-12-26 US disclosed
US-5821245-A Use of naphthalene derivatives in treating lung carcinoma PFIZER INC. (US) 1998-10-13 US disclosed
EP-0795328-A1 Use of naphthalene derivatives in treating lung carcinoma PFIZER INC. (US) 1997-09-17 EP disclosed
EP-0767782-A1 ARYL AND HETEROARYL ALKOXYNAPHTHALENE DERIVATIVES PFIZER INC. (US) 1997-04-16 EP disclosed
WO-1996000720-A1 ARYL AND HETEROARYL ALKOXYNAPHTHALENE DERIVATIVES PFIZER INC. (US) 1996-01-11 WO disclosed