SCHEMBL18488945

SCHEMBL18488945

CCCCCCCCCc1ccc(N(Cn2ccnn2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.41
HSD11B1 P28845 2/20 0.41
KCNH2 Q12809 1/20 0.41
HTR2A P28223 2/20 0.39
STAT3 P40763 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
ESR1 P03372 2/20 0.37
ADRA2A P08913 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
TACR2 P21452 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SHBG P04278 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
HSPD1 P10809 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
SCHEMBL18488934 1.00 CYP19A1 (0.41) CYP19A1HSD11B1KCNH2HTR2ASTAT3
SCHEMBL18488942 0.95 CYP19A1 (0.43) CYP19A1HSD11B1KCNH2TRPV1ADRA2A
SCHEMBL18488937 0.95 ESR1 (0.41) KCNH2HTR2ATRPV1ESR1ADRA2A
SCHEMBL8461445 0.95 ESR1 (0.41) KCNH2HTR2ATRPV1ESR1ADRA2A
SCHEMBL18488947 0.94 ESR1 (0.40) KCNH2HTR2ATRPV1ESR1ADRA2A
SCHEMBL18488926 0.90 NISCH (0.38) CYP19A1HSD11B1ALDH1A1CYP3A4HSD17B10
SCHEMBL10604263 0.81 CYP19A1 (0.55) CYP19A1
SCHEMBL18492273 0.78 KCNH2 (0.44) CYP19A1HSD11B1KCNH2HTR2ASTAT3
SCHEMBL11129490 0.74 KCNH2 (0.61) KCNH2HTR2AESR1ADRA2AADORA3
SCHEMBL514689 0.74 KCNH2 (0.61) KCNH2HTR2AESR1ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10280381-B2 Additive for lubricant compositions comprising an organomolybdenum compound, and a derivatized triazole VANDERBILT CHEMICALS, LLC (US) 2019-05-07 US claimed
US-20170044457-A1 ADDITIVE FOR LUBRICANT COMPOSITIONS COMPRISING AN ORGANOMOLYBDENUM COMPOUND, AND A DERIVATIZED TRIAZOLE VANDERBILT CHEMICALS, LLC (US) 2017-02-16 US claimed
US-10280381-B2 Additive for lubricant compositions comprising an organomolybdenum compound, and a derivatized triazole VANDERBILT CHEMICALS, LLC (US) 2019-05-07 US disclosed
US-9994531-B2 Antioxidant compositions and lubricating compositions containing the same VANDERBILT CHEMICALS, LLC (US) 2018-06-12 US disclosed
US-20170044457-A1 ADDITIVE FOR LUBRICANT COMPOSITIONS COMPRISING AN ORGANOMOLYBDENUM COMPOUND, AND A DERIVATIZED TRIAZOLE VANDERBILT CHEMICALS, LLC (US) 2017-02-16 US disclosed
US-20170044455-A1 ANTIOXIDANT COMPOSITIONS AND LUBRICATING COMPOSITIONS CONTAINING THE SAME VANDERBILT CHEMICALS, LLC (US) 2017-02-16 US disclosed