SCHEMBL9831301

SCHEMBL9831301

CCOC(=O)CCNc1cc(F)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
TOP2A P11388 1/20 0.45
MAPT P10636 6/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
ALOX15 P16050 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNQ4 P56696 1/20 0.39
KCNQ5 Q9NR82 1/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL9830613 0.89 MEN1 (0.47) TOP2AMAPTMEN1KMT2AHTT
SCHEMBL9830840 0.84 TOP2A (0.45) TOP2AMAPTSMN1; SMN2NPC1KDM4E
SCHEMBL9829793 0.82 TOP2A (0.53) TSHRTOP2AMAPTMEN1KMT2A
SCHEMBL9830217 0.80 MAPT (0.55) TSHRTOP2AMAPTMEN1KMT2A
SCHEMBL9831448 0.79 HPGD (0.51) TSHRTOP2AMAPTMEN1KMT2A
SCHEMBL26665186 0.79 MAPT (0.53) TOP2AMAPTNPC1KDM4EPOLB
SCHEMBL25474868 0.78 MEN1 (0.57) TSHRMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6891724 0.78 TOP2A (0.46) TSHRTOP2AMAPTSMN1; SMN2NPC1
SCHEMBL2702706 0.78 NPC1 (0.53) TOP2AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9829162 0.78 TOP2A (0.51) TOP2AMAPTMEN1KMT2ANPC1

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
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
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 disclosed
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 disclosed
US-4925939-A 6,7-dihydropyrrol[3,4-c]pyrido[2,3-d]pyrimidine derivatives SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-05-15 US disclosed