SCHEMBL29349693

SCHEMBL29349693

O=[N+]([O-])c1ccc(N2CCNCC2)cn1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.72
POLB P06746 2/20 0.68
ADRB1 P08588 1/20 0.59
SIRT6 Q8N6T7 1/20 0.59
CHRNB2 P17787 5/20 0.56
CHRNA4 P43681 5/20 0.56
CHRNB4 P30926 2/20 0.56
CHRNA3 P32297 2/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
RECQL P46063 1/20 0.51
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL1392957 1.00 MAPT (0.72) MAPTPOLBADRB1SIRT6CHRNB2
Hydrochloric Acid SCHEMBL30368622 0.98 MAPT (0.70) MAPTPOLBADRB1SIRT6CHRNB2
Hydrochloric Acid SCHEMBL2683957 0.98 MAPT (0.70) MAPTPOLBADRB1SIRT6CHRNB2
SCHEMBL5659915 0.94 MAPT (0.74) MAPTPOLBADRB1SIRT6CHRNB2
SCHEMBL28101719 0.88 MAPT (0.77) MAPTPOLBADRB1SIRT6CHRNB2
Tert-Butyl Formate SCHEMBL27701779 0.86 MAPT (0.55) MAPTPOLBADRB1SIRT6CHRNB2
SCHEMBL6363399 0.86 CHRNB2 (0.57) MAPTPOLBADRB1SIRT6CHRNB2
SCHEMBL29435521 0.85 MAPT (0.97) MAPTPOLBCHRNB2CHRNA4CHRNB4
SCHEMBL3539759 0.85 MAPT (0.90) MAPTPOLBCHRNB2CHRNA4CHRNB4
SCHEMBL15141576 0.85 MAPT (0.97) MAPTPOLBCHRNB2CHRNA4CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120092003-A CDK protein degrading agents, pharmaceutical compositions and therapeutic uses 拜欧斯瑞克斯公司 2025-06-03 CN disclosed
WO-2024173646-A1 CYCLIN-DEPENDENT KINASE DEGRADING COMPOUNDS INNOVO THERAPEUTICS, INC. (US) 2024-08-22 WO disclosed
CN-111527078-B Pyridinecarbonyl derivatives and their therapeutic use as TRPC6 inhibitors 勃林格殷格翰国际公司 2023-06-02 CN disclosed
CN-113968828-B Synthesis method of 4- (6-aminopyridine-3-yl) piperazine-1-carboxylic acid tert-butyl ester 安徽皓元药业有限公司 2023-04-25 CN disclosed
CN-113636973-B Industrial preparation method of 4- (6-aminopyridine-3-yl) piperazine-1-carboxylic acid tert-butyl ester 山东铂源药业股份有限公司 2023-04-07 CN disclosed
CN-113636973-B Industrial preparation method of 4- (6-aminopyridine-3-yl) piperazine-1-carboxylic acid tert-butyl ester 山东铂源药业股份有限公司 2023-04-07 CN disclosed
CN-115715291-A Bruton's tyrosine kinase inhibitor and preparation method thereof 上海华汇拓医药科技有限公司 2023-02-24 CN disclosed
CN-108290864-B Protein kinase inhibitor and preparation method and medical application thereof 甘李药业股份有限公司 2022-05-10 CN disclosed
CN-113968828-A Synthesis method of 4- (6-aminopyridine-3-yl) piperazine-1-carboxylic acid tert-butyl ester 安徽皓元药业有限公司 2022-01-25 CN disclosed
CN-113968828-A Synthesis method of 4- (6-aminopyridine-3-yl) piperazine-1-carboxylic acid tert-butyl ester 安徽皓元药业有限公司 2022-01-25 CN disclosed
CN-113956238-A Protein kinase inhibitor and preparation method and medical application thereof 甘李药业股份有限公司 2022-01-21 CN disclosed