SCHEMBL27690192

SCHEMBL27690192

CCC1c2cc([N+](=O)[O-])c(N)cc2NC1C=S

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
POLB P06746 2/20 0.33
MCL1 Q07820 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 5/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
MPI P34949 1/20 0.32
RECQL P46063 1/20 0.31
SIRT6 Q8N6T7 1/20 0.31

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
SCHEMBL27671294 0.95 MAPT (0.35) MAPTALDH1A1LMNATSHRCYP1A2
SCHEMBL27671304 0.84 TDP1 (0.36) MAPTALDH1A1LMNATSHRCYP1A2
SCHEMBL27671281 0.79 TDP1 (0.36) MAPTALDH1A1LMNATSHRCYP1A2
SCHEMBL27671444 0.77 MAPT (0.36) MAPTALDH1A1LMNATSHRCYP1A2
SCHEMBL9831689 0.74 MAPT (0.40) MAPTALDH1A1LMNATSHRCYP1A2
SCHEMBL9832370 0.72 PGR (0.40) MAPTALDH1A1LMNATSHRCYP1A2
SCHEMBL9833740 0.68 MAPT (0.40) MAPTALDH1A1LMNATSHRCYP1A2
SCHEMBL10470349 0.68 MAPT (0.40) MAPTALDH1A1LMNATSHRCYP1A2
SCHEMBL27690184 0.68 TDP1 (0.40) MAPTALDH1A1LMNATSHRCYP1A2
SCHEMBL9832618 0.67 PGR (0.40) MAPTALDH1A1LMNATSHRCYP1A2

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-85103724-B Process for preparing pyrrolobenzimidazoles 曼海姆伯灵格股份公司 1988-07-06 CN disclosed
CN-85103724-A The method for preparing novel pyrrolo-benzoglyoxaline 1986-07-02 CN disclosed