SCHEMBL7964656

SCHEMBL7964656

CC(CCc1ccccc1)Nc1nc(Cl)nc(Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
G6PD P11413 1/20 0.46
SCN9A Q15858 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
OPRK1 P41145 1/20 0.43
NFKB1 P19838 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL7960038 0.88 SCN9A (0.41) ALDH1A1G6PDSCN9ASIRT5
SCHEMBL7955336 0.86 GAA (0.41) ALDH1A1SCN9AMEN1KMT2ALMNA
SCHEMBL7978036 0.86 ALDH1A1 (0.45) ALDH1A1SCN9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL27430762 0.85 SCN9A (0.53) ALDH1A1G6PDSCN9ASMN1; SMN2CYP1A2
SCHEMBL4158998 0.77 KCNH3 (0.44) ALDH1A1SMN1; SMN2MEN1HTTKMT2A
SCHEMBL7978091 0.76 SCN9A (0.44) ALDH1A1G6PDSCN9ASMN1; SMN2CYP1A2
SCHEMBL7959884 0.76 L3MBTL1 (0.37) ALDH1A1G6PDSMN1; SMN2CYP1A2CYP2C9
SCHEMBL7955256 0.76 KCNH2 (0.36) ALDH1A1SCN9ACYP1A2CYP2C9CYP2C19
SCHEMBL7956751 0.74 KCNH2 (0.38) ALDH1A1SCN9AMEN1KMT2ALMNA
SCHEMBL13981594 0.74 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020146779-A1 mTORC1 INHIBITORS FOR ACTIVATING AUTOPHAGY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-07-16 WO disclosed
WO-2018175958-A1 THIOREDOXIN MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-09-27 WO disclosed
US-6271178-B1 APPLYING TO PLANTS; CONTROLLING WEEDS BAYER AG (DE) 2001-08-07 US disclosed
EP-0934285-A1 SUBSTITUTING 2-AMINO-4-ALKYLAMINO-1,3,5-TRIAZINE AS HERBICIDE BAYER AG (DE) 1999-08-11 EP disclosed
EP-0932605-A1 SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINE AS HERBICIDE BAYER AG (DE) 1999-08-04 EP disclosed
WO-1998015539-A1 SUBSTITUTING 2-AMINO-4-ALKYLAMINO-1,3,5-TRIAZINE AS HERBICIDE BAYER AKTIENGESELLSCHAFT (DE) 1998-04-16 WO disclosed
WO-1998015538-A1 SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINE AS HERBICIDE BAYER AKTIENGESELLSCHAFT (DE) 1998-04-16 WO disclosed