SCHEMBL30360239

SCHEMBL30360239

COc1cc(NC(C)=O)cc([N+](=O)[O-])c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 3/20 0.53
ABCB1 P08183 2/20 0.53
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
HTT P42858 2/20 0.51
MAPT P10636 2/20 0.48
ABCC1 P33527 1/20 0.47
BRAF P15056 1/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46

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
SCHEMBL28977418 1.00 MEN1 (0.53) MEN1KMT2AALDH1A1ABCB1LMNA
SCHEMBL6796229 0.84 MAPT (0.62) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL359321 0.82 ALDH1A1 (0.60) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL9644642 0.82 ALDH1A1 (0.70) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL30675591 0.82 ALDH1A1 (0.70) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL28977415 0.80 POLB (0.48) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL30360234 0.80 POLB (0.48) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL30929836 0.80 TUBB4A (0.49) MEN1KMT2AALDH1A1ABCB1HTT
SCHEMBL4354296 0.77 MEN1 (0.58) MEN1KMT2AALDH1A1ABCB1LMNA
SCHEMBL27303263 0.77 HTT (0.59) MEN1KMT2AALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894362-B Intermediate and application and method thereof in preparation of pyrroloquinoline quinone 山东原力泰医药科技有限公司 2023-11-07 CN claimed
CN-115894362-B Intermediate and application and method thereof in preparation of pyrroloquinoline quinone 山东原力泰医药科技有限公司 2023-11-07 CN disclosed
CN-115894362-A Intermediate and application and method thereof in preparation of pyrroloquinoline quinone 山东原力泰医药科技有限公司 2023-04-04 CN disclosed