SCHEMBL22062005

SCHEMBL22062005

CCOC(=O)c1cccc(/N=N/Nc2cccc(C(=O)OCC)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 2/20 0.55
TSHR P16473 1/20 0.55
RAB9A P51151 7/20 0.54
SMN1; SMN2 Q16637 7/20 0.54
NPC1 O15118 6/20 0.54
KDM4E B2RXH2 1/20 0.54
POLB P06746 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
PKM P14618 1/20 0.53
MAPT P10636 4/20 0.52
CDC25B P30305 4/20 0.52
MEN1 O00255 3/20 0.52
MAPK1 P28482 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL22062170 0.87 SMN1; SMN2 (0.58) KMT2AALDH1A1TSHRRAB9ASMN1; SMN2
SCHEMBL22062138 0.81 CYP1A1 (0.55) KMT2AALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL7672431 0.81 ALDH1A1 (0.55) KMT2AALDH1A1TSHRRAB9ASMN1; SMN2
SCHEMBL22062147 0.81 ALDH1A1 (0.55) KMT2AALDH1A1TSHRRAB9ASMN1; SMN2
SCHEMBL22062001 0.81 RAB9A (0.72) KMT2AALDH1A1TSHRRAB9ASMN1; SMN2
SCHEMBL22062006 0.80 RAB9A (0.59) KMT2AALDH1A1TSHRRAB9ASMN1; SMN2
SCHEMBL921752 0.79 KMT2A (0.53) KMT2AALDH1A1TSHRRAB9ASMN1; SMN2
SCHEMBL22062003 0.79 HDAC8 (0.49) KMT2AALDH1A1TSHRRAB9ASMN1; SMN2
SCHEMBL22062142 0.79 MEN1 (0.48) KMT2AALDH1A1TSHRRAB9ASMN1; SMN2
SCHEMBL11880967 0.79 MEN1 (0.48) KMT2AALDH1A1TSHRRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10678156-B2 Pigment dispersion, method for manufacturing toner, aqueous ink, and triazo compound CANON KABUSHIKI KAISHA (JP) 2020-06-09 US disclosed