SCHEMBL29198549

SCHEMBL29198549

Nc1cccc(Br)c1CSc1ccccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.42
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
P4HB P07237 1/20 0.33

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
SCHEMBL7245696 0.76 TSHR (0.52) ALOX15TSHRPOLBCYP1A2CYP2D6
SCHEMBL29198545 0.76 CA2 (0.38) ALOX15TSHRMEN1KMT2ANPSR1
SCHEMBL8022137 0.71 POLB (0.57) POLBCYP1A2CYP2D6CYP2C19HIF1A
SCHEMBL12278977 0.69 HSPA5 (0.43) ALOX15TSHRPOLBCYP1A2CYP2D6
SCHEMBL9124039 0.68 POLB (0.44) POLBCYP1A2CYP2D6CYP2C19MEN1
SCHEMBL1372190 0.68 GABRA1 (0.35) ALOX15TSHRCYP1A2CYP2D6CYP2C19
SCHEMBL31683792 0.67 ALOX15 (0.54) ALOX15TSHRPOLBCYP1A2CYP2C19
SCHEMBL77392 0.66 POLB (0.61) POLBMEN1KMT2AMAOAMAOB
SCHEMBL30937520 0.66 TAAR1 (0.37) ALOX15TSHRSMN1; SMN2HSD17B10
SCHEMBL1398159 0.66 TAAR1 (0.37) ALOX15TSHRSMN1; SMN2HSD17B10

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
CN-114014851-B Fluorene azole structural compound and application thereof 北京燕化集联光电技术有限公司 2024-02-27 CN disclosed