SCHEMBL30721815

SCHEMBL30721815

Cc1ccc(NC(=O)OC=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
POLB P06746 1/20 0.52
TGM2 P21980 1/20 0.52
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
NMT1 P30419 1/20 0.49
MAPT P10636 3/20 0.47
DDAH1 O94760 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KIF11 P52732 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL514893 0.85 TDP1 (0.53) TDP1POLBTGM2NPC1RAB9A
SCHEMBL12994621 0.83 TGM2 (0.59) TDP1POLBTGM2NPC1RAB9A
SCHEMBL28219382 0.80 SMN1; SMN2 (0.52) TGM2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL514571 0.79 SMN1; SMN2 (0.69) TDP1POLBTGM2NPC1RAB9A
SCHEMBL6790845 0.76 TDP1 (0.57) TDP1POLBTGM2NPC1RAB9A
SCHEMBL514570 0.76 TDP1 (0.57) TDP1POLBTGM2NPC1RAB9A
SCHEMBL1719720 0.74 SMN1; SMN2 (0.71) TDP1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL10192033 0.74 ALDH1A1 (0.61) TDP1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL23201181 0.74 RAB9A (0.62) TDP1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL14398171 0.74 TGM2 (0.68) TDP1POLBTGM2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115043750-B Method for preparing formamide by low pressure 中国科学院山西煤炭化学研究所 2023-12-26 CN disclosed