SCHEMBL22276136

SCHEMBL22276136

CNc1cc(NC)nc(NI)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.43
▸ NOS2 P35228 1/20 0.43
▸ NUDT1 P36639 7/20 0.41
▸ ESR1 P03372 1/20 0.39
▸ HTR6 P50406 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ALOX15 P16050 1/20 0.32
▸ NCF1 P14598 1/20 0.32

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
SCHEMBL11445700 0.81 MAPT (0.50) NOS3NOS2NUDT1ESR1HTR6
SCHEMBL22536296 0.73 CYP1A2 (0.43) MAPTALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL12411171 0.71 GAA (0.46) NOS3NOS2NUDT1ESR1ALDH1A1
SCHEMBL17812892 0.70 NOS3 (0.54) NOS3NOS2NUDT1HTR6MAPT
SCHEMBL12499637 0.68 NOS3 (0.58) NOS3NOS2NUDT1HTR6MAPT
SCHEMBL15360169 0.67 LMNA (0.42) NOS3NOS2NUDT1HTR6MAPT
SCHEMBL11037706 0.67 HTR6 (0.47) NOS3NOS2NUDT1HTR6MAPT
SCHEMBL14589647 0.66 ESR1 (0.40) ESR1HTR6MAPTALDH1A1CYP3A4
SCHEMBL7717516 0.65 NUDT1 (0.66) NOS3NOS2NUDT1HTR6MAPT
SCHEMBL27766743 0.65 NOS3 (0.48) NOS3NOS2NUDT1HTR6ALDH1A1

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-10800882-B2 Polyimide-based block copolymers and polyimide-based film comprising the same LG CHEM, LTD. (KR) 2020-10-13 — — US disclosed
US-20200239634-A1 POLYIMIDE-BASED BLOCK COPOLYMERS AND POLYIMIDE-BASED FILM COMPRISING THE SAME LG CHEM, LTD. (KR) 2020-07-30 — — US disclosed
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