SCHEMBL30785015

SCHEMBL30785015

NC=C1CNc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ JAK2 O60674 1/20 0.39
▸ GAA P10253 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CA12 O43570 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ BRPF1 P55201 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ BCHE P06276 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ CYP19A1 P11511 2/20 0.30
▸ CYP11B2 P19099 2/20 0.30

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
SCHEMBL3692774 1.00 NOS2 (0.41) NOS2ALOX15HSD17B10JAK2GAA
SCHEMBL3692772 1.00 NOS2 (0.41) NOS2ALOX15HSD17B10JAK2GAA
SCHEMBL15291319 0.79 JAK2 (0.39) NOS2ALOX15HSD17B10JAK2GAA
SCHEMBL28129799 0.76 MAOB (0.43) HSD17B10JAK2ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL29556997 0.75 JAK2 (0.36) NOS2ALOX15HSD17B10JAK2GAA
SCHEMBL8705808 0.73 NOS2 (0.34) NOS2ALOX15HSD17B10JAK2
SCHEMBL18830891 0.73 JAK2 (0.36) NOS2ALOX15HSD17B10JAK2GAA
SCHEMBL30955850 0.72 MAPT (0.35) NOS2ALOX15HSD17B10JAK2GAA
SCHEMBL16426791 0.71 IKBKB (0.54) JAK2GAANPSR1KDM4EALDH1A1
SCHEMBL16426716 0.71 MAOB (0.48) CYP19A1CYP11B2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025093059-A1 3-(AMINO)METHYLENE INDOLINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF 徐诺药业(南京)有限公司 2025-05-08 — — WO claimed
CN-117624179-A 3- (amino) methylene indoline derivative and preparation method and application thereof 徐诺药业(南京)有限公司 2024-03-01 — — CN claimed
WO-2025093059-A1 3-(AMINO)METHYLENE INDOLINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF 徐诺药业(南京)有限公司 2025-05-08 — — WO disclosed
WO-2025093059-A1 3-(AMINO)METHYLENE INDOLINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF 徐诺药业(南京)有限公司 2025-05-08 — — WO disclosed
WO-2025093059-A1 3-(AMINO)METHYLENE INDOLINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF 徐诺药业(南京)有限公司 2025-05-08 — — WO disclosed
CN-117624179-A 3- (amino) methylene indoline derivative and preparation method and application thereof 徐诺药业(南京)有限公司 2024-03-01 — — CN disclosed
CN-117624179-A 3- (amino) methylene indoline derivative and preparation method and application thereof 徐诺药业(南京)有限公司 2024-03-01 — — CN disclosed
CN-117624179-A 3- (amino) methylene indoline derivative and preparation method and application thereof 徐诺药业(南京)有限公司 2024-03-01 — — CN disclosed
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