SCHEMBL28044155

SCHEMBL28044155

CCc1cccc(C#N)c1C(C)Br

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.39
GABRB2 P47870 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 6/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
AR P10275 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL23735874 0.86 L3MBTL1 (0.38) GABRA1GABRB2SMN1; SMN2LMNAL3MBTL1
SCHEMBL27367559 0.77 DYRK1A (0.40) SMN1; SMN2LMNAL3MBTL1TSHRMEN1
SCHEMBL20611365 0.74 L3MBTL1 (0.33) SMN1; SMN2L3MBTL1TSHRARMAPK1
SCHEMBL27475655 0.74 POLB (0.45) SMN1; SMN2TSHRARCA1CA2
SCHEMBL3112611 0.73 NOTUM (0.40) SMN1; SMN2LMNAL3MBTL1MAPTMAPK1
SCHEMBL106062 0.73 TSHR (0.50) GABRA1GABRB2SMN1; SMN2L3MBTL1TSHR
SCHEMBL27912602 0.72 TDP1 (0.42) SMN1; SMN2TSHRMAPTALDH1A1
SCHEMBL7790350 0.72 GABRA1 (0.41) GABRA1GABRB2LMNATSHRMAPT
SCHEMBL11524213 0.72 GABRA1 (0.41) GABRA1GABRB2SMN1; SMN2TSHRAR
SCHEMBL11967122 0.72 TSHR (0.45) GABRA1GABRB2L3MBTL1TSHRAR

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-105051044-A Compounds and their use for modulating hemoglobin GLOBAL BLOOD THERAPEUTICS INC 2015-11-11 CN disclosed