SCHEMBL29771844

SCHEMBL29771844

Nc1cccc2c1CCNC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CD44 P16070 2/20 1.00
▸ PNMT P11086 4/20 0.52
▸ MAOB P27338 1/20 0.52
▸ PARP1 P09874 1/20 0.44
▸ PRCP P42785 1/20 0.43
▸ HTR2C P28335 2/20 0.41
▸ GID4 Q8IVV7 1/20 0.41

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
SCHEMBL329571 1.00 CD44 (1.00) CD44PNMTMAOBPARP1PRCP
Hydrochloric Acid SCHEMBL4520528 0.98 CD44 (0.96) CD44PNMTMAOBPARP1PRCP
Hydrochloric Acid SCHEMBL4506036 0.98 CD44 (0.96) CD44PNMTMAOBPARP1PRCP
SCHEMBL509247 0.86 CD44 (0.75) CD44PNMTMAOBPARP1PRCP
SCHEMBL30156803 0.84 CD44 (0.72) CD44PNMTMAOBPRCPHTR2C
SCHEMBL3659651 0.84 CD44 (0.72) CD44PNMTMAOBPRCPHTR2C
Hydrochloric Acid SCHEMBL4516826 0.82 CD44 (0.70) CD44PNMTMAOBPRCPHTR2C
SCHEMBL29805405 0.81 CD44 (0.68) CD44PNMTMAOBPARP1PRCP
SCHEMBL329619 0.81 CD44 (0.68) CD44PNMTMAOBPARP1PRCP
SCHEMBL11327051 0.77 CD44 (0.62) CD44PNMTMAOBPARP1PRCP

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
CN-118976029-A Pharmaceutical composition for preventing or treating parkinson's disease or nonalcoholic steatohepatitis 韩国化学研究院 2024-11-19 — — CN disclosed
CN-114829344-B Pyrimidine derivatives and pharmaceutical compositions containing the same 韩国化学研究院 2024-08-13 — — CN disclosed
CN-118475560-A Novel heterocyclic compound 首药控股(北京)股份有限公司 2024-08-09 — — CN disclosed
CN-116082333-A Pyrimidine piperidine FGFR inhibitor and preparation method and application thereof 广西鹭港生物医药科技有限公司 2023-05-09 — — CN disclosed
CN-217796147-U Aeration type micro-bubble generator for high-pressure environment 北京思达流体科技有限公司 2022-11-15 — — CN disclosed
CN-115055155-A Aeration type micro-bubble generator for high-pressure environment and application method thereof 北京思达流体科技有限公司 2022-09-16 — — CN disclosed
CN-112876470-B Method for synthesizing quinazolinone compound under nonmetal catalysis without additive 中国科学院大连化学物理研究所 2022-08-30 — — CN disclosed
CN-114829344-A Novel pyrimidine derivative and use thereof 韩国化学研究院 2022-07-29 — — CN disclosed
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