SCHEMBL2949433

SCHEMBL2949433

Clc1ccc(Cn2ccnc2Cc2ccccc2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.51
HSP90AA1 P07900 1/20 0.48
CYP2D6 P10635 3/20 0.47
CYP2C19 P33261 3/20 0.47
TSHR P16473 1/20 0.47
HIF1A Q16665 1/20 0.47
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX12 P18054 1/20 0.43
GALR3 O60755 1/20 0.43
NR2F2 P24468 1/20 0.43
DBH P09172 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
P2RX7 Q99572 1/20 0.43

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
SCHEMBL1723554 0.81 HSP90AA1 (0.57) HSP90AA1CYP2D6CYP2C19MEN1KMT2A
Hydrochloric Acid SCHEMBL4053167 0.80 HSP90AA1 (0.56) HSP90AA1CYP2D6CYP2C19MEN1KMT2A
SCHEMBL6654380 0.80 HSP90AA1 (0.55) HSP90AA1CYP2D6CYP2C19HIF1AMEN1
SCHEMBL10690683 0.76 TSHR (0.43) SIGMAR1CYP2D6CYP2C19TSHRHIF1A
SCHEMBL10337098 0.75 TSHR (0.53) SIGMAR1CYP2D6CYP2C19TSHRHIF1A
SCHEMBL28364457 0.74 TSHR (0.53) CYP2D6CYP2C19TSHRHIF1AMEN1
SCHEMBL3338535 0.73 HSP90AA1 (0.50) HSP90AA1CYP2D6CYP2C19MEN1KMT2A
SCHEMBL3403218 0.73 SMN1; SMN2 (0.52) HSP90AA1CYP2D6CYP2C19MEN1KMT2A
SCHEMBL3295742 0.73 MEN1 (0.61) SIGMAR1CYP2C19HIF1AMEN1KMT2A
SCHEMBL13508741 0.72 LMNA (0.68) CYP2D6CYP2C19MEN1KMT2ACYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1886759-B1 WATER-SOLUBLE PREFLUX AND USE THEREOF SHIKOKU CHEM (JP) 2016-10-05 EP disclosed
US-7754105-B2 Water-soluble preflux and usage of the same SHIKOKU CHEMICALS CORPORATION (JP) 2010-07-13 US disclosed
US-20080318070-A1 Water-Soluble Preflux and Usage of the Same SHIKOKU CHEMICALS CORPORATION (JP) 2008-12-25 US disclosed
EP-1886759-A1 WATER-SOLUBLE PREFLUX AND USE THEREOF SHIKOKU CHEMICALS CORPORATION (JP) 2008-02-13 EP disclosed