SCHEMBL15065449

SCHEMBL15065449

CCCCCCCCN(CCCCCCCC)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
CNR2 P34972 6/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
MGLL Q99685 1/20 0.38
DNM1 Q05193 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL10340840 1.00 LMNA (0.43) LMNACNR2CYP1A2CYP2D6CYP2C19
SCHEMBL5460996 1.00 LMNA (0.43) LMNACNR2CYP1A2CYP2D6CYP2C19
SCHEMBL15871096 0.98 CYP1A2 (0.42) LMNACNR2CYP1A2CYP2D6CYP2C19
SCHEMBL1275299 0.92 EGFR (0.44) LMNACNR2CYP1A2CYP2D6CYP2C19
SCHEMBL9807499 0.91 LSS (0.41) LMNACNR2HDAC3HDAC1HDAC2
SCHEMBL5058729 0.90 INSR (0.48) LMNACYP2C19KDM4EMAPK1TDP1
SCHEMBL5058728 0.90 INSR (0.48) LMNACYP2C19KDM4EMAPK1TDP1
SCHEMBL12677177 0.89 CNR2 (0.46) CNR2EGFRERBB2DNM1
SCHEMBL1815516 0.89 CNR2 (0.46) CNR2EGFRERBB2DNM1
SCHEMBL25394463 0.88 GLB1 (0.38) LMNACNR2CYP1A2CYP2D6CYP2C19

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
US-20130167932-A1 INDOLE COMPOUND, AND PHOTOELECTRIC CONVERSION DYE USING SAME, SEMICONDUCTOR ELECTRODE, PHOTOELECTRIC CONVERSION ELEMENT, AND PHOTOELECTROCHEMICAL CELL NEC CORPORATION (JP) 2013-07-04 US disclosed