SCHEMBL28997201

SCHEMBL28997201

O=C(O)C(Cc1ccncc1)(Cc1ccncc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.50
CYP19A1 P11511 1/20 0.46
PTPRB P23467 1/20 0.44
NAPRT Q6XQN6 1/20 0.43
HIF1A Q16665 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
PLOD2 O00469 1/20 0.39
PLOD3 O60568 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
PLOD1 Q02809 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
SCHEMBL338742 0.79 SMN1; SMN2 (0.61) FDPSPTPRBHIF1ASMN1; SMN2ALDH1A1
SCHEMBL6643278 0.79 FDPS (0.47) FDPSCYP19A1PTPRBNAPRTHIF1A
SCHEMBL3680427 0.79 FDPS (0.47) FDPSCYP19A1PTPRBNAPRTHIF1A
SCHEMBL7810611 0.79 FDPS (0.47) FDPSCYP19A1NAPRTHIF1ASMN1; SMN2
SCHEMBL21269769 0.77 SMN1; SMN2 (0.59) FDPSPTPRBHIF1ASMN1; SMN2ALDH1A1
SCHEMBL21269594 0.77 SMN1; SMN2 (0.59) FDPSPTPRBHIF1ASMN1; SMN2ALDH1A1
SCHEMBL21268824 0.77 SMN1; SMN2 (0.59) FDPSPTPRBHIF1ASMN1; SMN2ALDH1A1
SCHEMBL7483174 0.77 CYP17A1 (0.53) CYP19A1SMN1; SMN2ALDH1A1GAAHTT
SCHEMBL8266516 0.76 BLM (0.66) FDPSCYP19A1PTPRBNAPRTHIF1A
SCHEMBL31036573 0.76 BLM (0.66) FDPSCYP19A1PTPRBNAPRTHIF1A

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
CN-115925674-A Fullerene-based electron transport material with Lewis base group and application thereof 四川轻化工大学 2023-04-07 CN claimed
CN-115925674-A Fullerene-based electron transport material with Lewis base group and application thereof 四川轻化工大学 2023-04-07 CN disclosed