SCHEMBL8633727

SCHEMBL8633727

COCCCOc1ccnc(-c2nc3ccccc3n2[S+](C)[O-])c1C.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ OPRM1 P35372 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ DDAH1 O94760 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ IDE P14735 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ TBXA2R P21731 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ NPY1R P25929 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ DRD3 P35462 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
SCHEMBL8439253 0.99 MAPT (0.41) MAPTKMT2AHPGDCYP2C9ALDH1A1
SCHEMBL8672637 0.93 SMN1; SMN2 (0.37) MAPTKMT2AHPGDCYP2C9ALDH1A1
SCHEMBL8670481 0.91 ALDH1A1 (0.36) MAPTKMT2AHPGDCYP2C9ALDH1A1
SCHEMBL8668983 0.87 MEN1 (0.36) MAPTKMT2AHPGDALDH1A1LMNA
SCHEMBL7923747 0.85 KDM4E (0.41) MAPTKMT2AHPGDALDH1A1LMNA
SCHEMBL8553022 0.84 KDM4E (0.40) MAPTKMT2AHPGDALDH1A1LMNA
SCHEMBL1559770 0.83 MAPT (0.50) MAPTKMT2AHPGDCYP2C9ALDH1A1
SCHEMBL1559910 0.83 MAPT (0.50) MAPTKMT2AHPGDCYP2C9ALDH1A1
SCHEMBL8553044 0.81 MAPT (0.32) MAPTALDH1A1LMNANPC1SMN1; SMN2
SCHEMBL8442774 0.81 HTR1D (0.44) KMT2ALMNAGAAKDM4ESMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5840917-A ADMINISTERING TO MAMMAL TO ERADICATE HELICOBACTER PYLORI TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-24 — — US disclosed
US-5239079-A Pyridinium salt and pharmacological composition containing the same EISAI CO., LTD. (JP) 1993-08-24 — — US disclosed
US-5162317-A PYRIDINIUM SALT AND PHARMACOLOGICAL COMPOSITION CONTAINING THE SAME ESAI CO., LTD. (JP) 1992-11-10 — — US disclosed
EP-0374261-A1 PYRIDINIUM SALT AND PHARMACOLOGICAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 1990-06-27 — — EP disclosed
WO-1989010927-A1 PYRIDINIUM SALT AND PHARMACOLOGICAL COMPOSITION CONTAINING THE SAME EISAI CO., LTD. (JP) 1989-11-16 — — WO disclosed
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