SCHEMBL7652240

SCHEMBL7652240

CCCCc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KCNH2 Q12809 1/20 0.50
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
ALOX12 P18054 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
NR1H4 Q96RI1 2/20 0.48
SIGMAR1 Q99720 2/20 0.45
POLB P06746 1/20 0.45
PLK1 P53350 1/20 0.45
CASP3 P42574 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL547838 0.89 KCNH2 (0.60) HPGDNPC1RAB9AKCNH2ALDH1A1
SCHEMBL48879 0.87 HPGD (0.58) HPGDNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL14127779 0.87 HPGD (0.58) HPGDNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4823761 0.85 HPGD (0.39) HPGDNPC1RAB9AKCNH2ALDH1A1
SCHEMBL6927738 0.83 CNR2 (0.47) HPGDNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8776979 0.83 KCNH2 (0.63) KCNH2ALDH1A1LMNASIGMAR1TRPV1
SCHEMBL28534367 0.81 KCNH2 (0.61) KCNH2ALDH1A1LMNASIGMAR1TRPV1
SCHEMBL13997210 0.81 CA1 (0.45) HPGDNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL28525880 0.81 KCNH2 (0.61) KCNH2ALDH1A1LMNASIGMAR1TRPV1
SCHEMBL13133431 0.81 RARB (0.55) HPGDNPC1RAB9AALDH1A1SMN1; 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
US-20020076632-A1 High mobility charge transporting molecules for a charge transport layer XEROX CORPORATION 2002-06-20 US disclosed