SCHEMBL9830612

SCHEMBL9830612

CCOC(=O)c1ccc(N2CCC(=O)C2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 4/20 0.49
RAB9A P51151 3/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
HTT P42858 2/20 0.43
PKM P14618 1/20 0.43
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
NPC1 O15118 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40

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
SCHEMBL9830224 0.88 MAPT (0.55) MAPTKDM4EALDH1A1RAB9AMEN1
SCHEMBL9832167 0.85 MAPT (0.50) MAPTKDM4EALDH1A1RAB9AMEN1
SCHEMBL9831799 0.84 MAPT (0.49) MAPTKDM4EALDH1A1RAB9AMEN1
SCHEMBL9830345 0.84 NR1H2 (0.41) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL4508521 0.83 MAPT (0.52) MAPTKDM4EALDH1A1RAB9AMEN1
SCHEMBL5863292 0.80 ALDH1A1 (0.49) MAPTKDM4EALDH1A1RAB9AMEN1
SCHEMBL9829081 0.79 ALDH1A1 (0.55) ALDH1A1MEN1POLBTSHRKMT2A
SCHEMBL9832169 0.79 PDE3B (0.40) MAPTKDM4EALDH1A1RAB9AMEN1
SCHEMBL17893656 0.78 SIRT6 (0.44) MAPTKDM4EALDH1A1RAB9AMEN1
SCHEMBL31542266 0.77 MAPT (0.46) MAPTKDM4EALDH1A1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP claimed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO claimed