SCHEMBL11404682

SCHEMBL11404682

CCOCCCc1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.50
GFER P55789 1/20 0.50
MAOA P21397 2/20 0.43
CYP19A1 P11511 4/20 0.43
HTR2A P28223 1/20 0.42
TDP1 Q9NUW8 3/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IDO1 P14902 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL6695305 0.94 MAOB (0.53) MAOBGFERMAOACYP19A1HTR2A
SCHEMBL28218675 0.88 GFER (0.54) MAOBGFERMAOACYP19A1TDP1
SCHEMBL31553484 0.87 GFER (0.59) MAOBGFERMAOACYP19A1HTR2A
SCHEMBL20234296 0.82 KCNH2 (0.56) TDP1KDM4ETHRBRAB9ASMN1; SMN2
SCHEMBL12558942 0.81 MAOB (0.52) MAOBGFERMAOACYP19A1HTR2A
SCHEMBL5633487 0.81 MAOB (0.47) MAOBGFERMAOACYP19A1TDP1
SCHEMBL2130427 0.80 RAB9A (0.49) HTR2ATDP1KDM4ETHRBRAB9A
SCHEMBL10752499 0.80 ESR1 (0.57) CYP19A1KDM4ERAB9ASMN1; SMN2ALDH1A1
SCHEMBL16389797 0.80 SMN1; SMN2 (0.34) CYP19A1TDP1KDM4ETHRBRAB9A
SCHEMBL90733 0.79 RAB9A (0.58) TDP1RAB9ASMN1; SMN2IDO1KCNH2

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-4199318-A Washfast disazo dyestuffs TOMS RIVER CHEMICAL CORPORATION (US) 1980-04-22 US disclosed
US-4143035-A DISAZO DYESTUFFS HAVING AN ALKOXY GROUP ON THE FIRST AND/OR SECOND COMPONENT TOMS RIVER CHEMICAL CORPORATION (US) 1979-03-06 US disclosed