SCHEMBL9533233

SCHEMBL9533233

C=C(c1ccccc1)c1ccc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL5067712 0.84 TSHR (0.43) RAB9ASMN1; SMN2TSHRMEN1KMT2A
SCHEMBL2493747 0.77 RAB9A (0.34) RAB9AGAASMN1; SMN2TSHRMEN1
SCHEMBL29441331 0.77 RAB9A (0.49) RAB9AGAASMN1; SMN2TSHRCYP2D6
SCHEMBL1074961 0.76 ALDH1A1 (0.56) RAB9AGAASMN1; SMN2TSHRCYP2D6
SCHEMBL7763482 0.74 RAB9A (0.46) RAB9AGAASMN1; SMN2TSHRKMT2A
SCHEMBL946805 0.74 RAB9A (0.46) RAB9AGAASMN1; SMN2TSHRMEN1
Hydrochloric Acid SCHEMBL29381203 0.74 RAB9A (0.54) RAB9AGAASMN1; SMN2TSHRCYP2D6
SCHEMBL1892162 0.74 RAB9A (0.54) RAB9AGAASMN1; SMN2TSHRCYP2D6
SCHEMBL13656487 0.74 TSHR (0.43) RAB9ASMN1; SMN2TSHRMEN1KMT2A
SCHEMBL11386974 0.74 BCAT2 (0.42) SMN1; SMN2TSHRMEN1KMT2ACYP2D6

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-5187288-A Electrically neutral, photostable, narrow absorption and emission spectra MOLECULAR PROBES, INC. (US) 1993-02-16 US disclosed