SCHEMBL6607761

SCHEMBL6607761

Cc1sc2nc3c(c(-c4ccccc4)c2c1C)CNCC3

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
ALDH1A1 P00352 4/20 0.45
PDCD1 Q15116 2/20 0.43
CD274 Q9NZQ7 2/20 0.43
HTR2A P28223 3/20 0.42
HTR2C P28335 3/20 0.42
HTR2B P41595 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
RXFP1 Q9HBX9 1/20 0.39
PRKCI P41743 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL6608441 0.74 MAPT (0.70) MAPTALDH1A1HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL6610702 0.73 MAPT (0.72) MAPTALDH1A1HTR2AHTR2CHTR2B
SCHEMBL7976500 0.70 ALDH1A1 (0.54) MAPTALDH1A1PDCD1CD274HTR2A
SCHEMBL6607314 0.69 MAPT (0.56) MAPTHTR2AHTR2CHTR2BCYP3A4
Hydrochloric Acid SCHEMBL7976524 0.69 ALDH1A1 (0.56) MAPTALDH1A1PDCD1CD274HTR2A
SCHEMBL6607643 0.68 MAPT (0.49) MAPTPDCD1CD274HTR2AHTR2C
Hydrochloric Acid SCHEMBL6610212 0.68 MAPT (0.58) MAPTHTR2AHTR2CHTR2BCYP3A4
SCHEMBL11839438 0.67 MAPT (0.60) MAPTALDH1A1HTR2AHTR2CHTR2B
SCHEMBL19000315 0.67 ALDH1A1 (0.55) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL6611810 0.66 MAPT (0.97) MAPTALDH1A1HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997462-A1 NOVEL NAPHTHYRIDINE DERIVATIVES OR SALTS THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2000-05-03 EP claimed
EP-0997462-B1 NOVEL NAPHTHYRIDINE DERIVATIVES OR SALTS THEREOF NIPPON KAYAKU KK (JP) 2004-12-22 EP disclosed
US-6294547-B1 Naphthyridine deratives or salts thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-09-25 US disclosed
EP-0997462-A1 NOVEL NAPHTHYRIDINE DERIVATIVES OR SALTS THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2000-05-03 EP disclosed