SCHEMBL2994615

SCHEMBL2994615

N=C(N)Nc1cccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.44
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
F9 P00740 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
BCAT2 O15382 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
FABP3 P05413 1/20 0.37

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
SCHEMBL28115195 0.85 SIGMAR1 (0.57) SIGMAR1ALDH1A1MEN1CYP2C9HPGD
SCHEMBL7617157 0.79 PLAU (0.36) SIGMAR1PLAUPLATALDH1A1HPGD
SCHEMBL10785558 0.79 ALDH1A1 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL10797484 0.76 FABP4 (0.39) SIGMAR1ALDH1A1MEN1CYP2C9HPGD
SCHEMBL29116511 0.76 MAOA (0.61) ALDH1A1CYP2C9HPGDRAB9ASMN1; SMN2
SCHEMBL5016493 0.76 ALDH1A1 (0.41) SIGMAR1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5563589 0.75 MAOA (0.55) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL5560042 0.75 MAOA (0.64) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL2002382 0.74 GAA (0.50) SIGMAR1ALDH1A1KMT2ASMN1; SMN2PRSS1
SCHEMBL6263678 0.73 HDAC7 (0.45) SIGMAR1PLAUPLATALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084547-B2 Methods for producing rubber mixtures LANXESS DEUTSCHLAND GMBH (US) 2011-12-27 US disclosed
US-20100197829-A1 METHODS FOR PRODUCING RUBBER MIXTURES LANXESS DEUTSCHLAND GMBH (DE) 2010-08-05 US disclosed