SCHEMBL7695787

SCHEMBL7695787

CNCCCCCCCCCCOc1ccc2cc(I)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
HTR1B P28222 2/20 0.45
SLC6A4 P31645 1/20 0.41
KDM4E B2RXH2 4/20 0.41
POLB P06746 1/20 0.41
HDAC1 Q13547 1/20 0.40
PPARG P37231 1/20 0.40
L3MBTL4 Q8NA19 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NSD2 O96028 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
HTR1D P28221 1/20 0.39
LMNA P02545 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
Hydrochloric Acid SCHEMBL7689719 0.98 L3MBTL1 (0.50) L3MBTL1HTR1BSLC6A4KDM4EPOLB
SCHEMBL7689608 0.84 L3MBTL1 (0.59) L3MBTL1HTR1BSLC6A4KDM4EHDAC1
SCHEMBL9665513 0.82 L3MBTL1 (0.61) L3MBTL1HTR1BSLC6A4KDM4EHDAC1
SCHEMBL7692562 0.81 L3MBTL1 (0.51) L3MBTL1HTR1BSLC6A4KDM4EPOLB
SCHEMBL7693885 0.81 L3MBTL1 (0.51) L3MBTL1HTR1BSLC6A4KDM4EPOLB
SCHEMBL7702285 0.81 L3MBTL1 (0.51) L3MBTL1HTR1BSLC6A4KDM4EPOLB
SCHEMBL7690850 0.81 L3MBTL1 (0.58) L3MBTL1HTR1BSLC6A4KDM4EPOLB
SCHEMBL7692512 0.81 L3MBTL1 (0.51) L3MBTL1HTR1BSLC6A4KDM4EPOLB
SCHEMBL7696748 0.81 L3MBTL1 (0.51) L3MBTL1HTR1BSLC6A4KDM4EPOLB
SCHEMBL7690081 0.79 NPC1 (0.46) KDM4EHDAC1NPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002024619-A1 AMINE COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 2002-03-28 WO disclosed