SCHEMBL13321985

SCHEMBL13321985

Cc1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
S100B P04271 1/20 0.38
S1PR1 P21453 2/20 0.36
MAPT P10636 2/20 0.36
CYP2A6 P11509 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34
POLB P06746 1/20 0.33
GRK2 P25098 1/20 0.33
DNMT1 P26358 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL14503063 1.00 ALDH1A1 (0.39) ALDH1A1S100BS1PR1MAPTCYP2A6
SCHEMBL2312635 0.94 ALDH1A1 (0.50) ALDH1A1S100BS1PR1MAPTCYP2A6
SCHEMBL10066014 0.89 ALDH1A1 (0.42) ALDH1A1S100BS1PR1MAPTSMN1; SMN2
SCHEMBL7763414 0.86 ALDH1A1 (0.43) ALDH1A1S100BS1PR1MAPTSMN1; SMN2
SCHEMBL12156922 0.85 S100B (0.37) ALDH1A1S100BCYP2A6RAPGEF4POLB
SCHEMBL12156934 0.85 S100B (0.37) ALDH1A1S100BS1PR1MAPTCYP2A6
SCHEMBL11926093 0.83 S1PR1 (0.41) ALDH1A1S100BS1PR1SMN1; SMN2MEN1
SCHEMBL2307474 0.82 ALDH1A1 (0.38) ALDH1A1S100BS1PR1MAPTRAPGEF4
SCHEMBL14186200 0.82 ALDH1A1 (0.44) ALDH1A1S100BS1PR1MAPTSMN1; SMN2
SCHEMBL7764832 0.82 ALDH1A1 (0.44) ALDH1A1S100BS1PR1MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718760-B2 π-Conjugated polymer and manufacturing method thereof RICOH COMPANY, LTD. (JP) 2010-05-18 US disclosed
US-7718760-B2 π-Conjugated polymer and manufacturing method thereof RICOH COMPANY, LTD. (JP) 2010-05-18 US disclosed