SCHEMBL9830974

SCHEMBL9830974

CCOC(=O)CCNc1cc(F)c(F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.41
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
NLRP3 Q96P20 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL9830975 0.85 TOP2A (0.47) TOP2ASMN1; SMN2CYP1A2LMNAALDH1A1
SCHEMBL9831448 0.84 HPGD (0.51) TOP2ASMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL9832748 0.84 POLB (0.46) SMN1; SMN2CYP1A2LMNAALDH1A1MGAM
SCHEMBL16302283 0.83 TOP2A (0.48) TOP2ASMN1; SMN2CYP1A2ALDH1A1MGAM
SCHEMBL4865806 0.83 TOP2A (0.48) TOP2ASMN1; SMN2ALDH1A1MGAMGAA
SCHEMBL14929541 0.83 SMN1; SMN2 (0.57) TOP2ASMN1; SMN2CYP1A2LMNAALDH1A1
SCHEMBL9832154 0.81 CYP1A2 (0.46) TOP2ASMN1; SMN2CYP1A2ALDH1A1MGAM
SCHEMBL8880107 0.81 L3MBTL1 (0.46) TOP2AALDH1A1MGAMGAASI
SCHEMBL6891724 0.80 TOP2A (0.46) TOP2ASMN1; SMN2CYP1A2LMNAALDH1A1
SCHEMBL9829498 0.79 SMN1; SMN2 (0.56) TOP2ASMN1; SMN2ALDH1A1GAANPC1

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