SCHEMBL7871374

SCHEMBL7871374

Cc1cccc(N(c2ccccc2)c2ccc(CCCCCCI)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.40
KCNH2 Q12809 2/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 2/20 0.36
PAX8 Q06710 2/20 0.36
JAK2 O60674 1/20 0.36

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
SCHEMBL7874939 0.90 ALDH1A1 (0.44) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL7871343 0.86 KMT2A (0.47) SIGMAR1KCNH2CHRM2HTR1AADRA2A
SCHEMBL17324352 0.82 RAB9A (0.44) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL13989151 0.82 CA1 (0.43) NPC1RAB9AALDH1A1PAX8POLB
SCHEMBL2771243 0.82 HSD11B1 (0.48) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL7871388 0.81 GPR52 (0.38) SIGMAR1KCNH2CHRM2HTR1AADRA2A
SCHEMBL10104352 0.80 CHKA (0.41) SLC6A2SLC6A4NPC1RAB9AALDH1A1
SCHEMBL7877465 0.80 TDP1 (0.46) SLC6A2SLC6A4MEN1KMT2ANPC1
SCHEMBL6760265 0.80 HSD11B1 (0.46) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL2770572 0.80 HSD11B1 (0.46) MEN1KMT2ANPC1RAB9AALDH1A1

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-20010017155-A1 Of monovinylated triarylamine monomers; use in light emitting diodes or as components of photorefractive materials CALIFORNIA INSTITUTE OF TECHNOLOGY 2001-08-30 US disclosed