SCHEMBL3453958

SCHEMBL3453958

c1c[nH]c([B-](c2ncc[nH]2)(c2ncc[nH]2)c2ncc[nH]2)n1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.48
MTOR P42345 1/20 0.48
ADK P55263 1/20 0.48
TAAR1 Q96RJ0 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ADRA1A P35348 2/20 0.34
CSNK1A1 P48729 2/20 0.33
TYRO3 Q06418 2/20 0.33
DYRK1B Q9Y463 2/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
IGF1R P08069 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
SCHEMBL595001 0.82 ALDH1A1 (0.50) NISCHMTORADKTAAR1SMN1; SMN2
SCHEMBL600691 0.80 ALDH1A1 (0.48) NISCHMTORADKTAAR1SMN1; SMN2
SCHEMBL3717302 0.80 ALDH1A1 (0.48) NISCHMTORADKTAAR1SMN1; SMN2
Hydrochloric Acid SCHEMBL701514 0.69 ALDH1A1 (0.44) TAAR1ALDH1A1TSHRLMNAGLA
Hydrochloric Acid SCHEMBL699430 0.69 ALDH1A1 (0.44) TAAR1ALDH1A1TSHRLMNAGLA
SCHEMBL11707018 0.69 ALDH1A1 (0.50) TAAR1SMN1; SMN2ALDH1A1TSHRLMNA
Benzene SCHEMBL31091106 0.69 ALDH1A1 (0.50) TAAR1SMN1; SMN2ALDH1A1TSHRLMNA
SCHEMBL143876 0.69 ALDH1A1 (0.50) TAAR1SMN1; SMN2ALDH1A1TSHRLMNA
SCHEMBL1132217 0.67 ALDH1A1 (0.47) TAAR1SMN1; SMN2ALDH1A1TSHRLMNA
SCHEMBL225363 0.67 ALDH1A1 (0.47) TAAR1SMN1; SMN2ALDH1A1TSHRLMNA

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
WO-2010151807-A1 SIGNAL AMPLIFIED BIOLOGICAL DETECTION WITH CONJUGATED POLYMERS SIRIGEN, INC. (US) 2010-12-29 WO disclosed