SCHEMBL30013645

SCHEMBL30013645

CN(c1cccc(I)c1)c1nc(Cl)nc2cc([N+](=O)[O-])ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.52
MAPT P10636 1/20 0.44
OPRK1 P41145 1/20 0.42
KMT2A Q03164 1/20 0.42
EGFR P00533 2/20 0.42
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
C1R P00736 3/20 0.38
ALDH1A1 P00352 2/20 0.37
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
ACHE P22303 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36

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
SCHEMBL23577191 1.00 ABCG2 (0.52) ABCG2MAPTOPRK1KMT2AEGFR
SCHEMBL23601213 0.88 ABCG2 (0.53) ABCG2MAPTOPRK1KMT2AEGFR
SCHEMBL30961066 0.88 MAPT (0.57) ABCG2MAPTOPRK1KMT2AEGFR
SCHEMBL23577599 0.88 MAPT (0.57) ABCG2MAPTOPRK1KMT2AEGFR
SCHEMBL23576751 0.87 ABCG2 (0.52) ABCG2MAPTOPRK1KMT2AEGFR
SCHEMBL30013613 0.87 ABCG2 (0.52) ABCG2MAPTOPRK1KMT2AEGFR
SCHEMBL23601761 0.86 ABCG2 (0.62) ABCG2MAPTOPRK1KMT2AEGFR
SCHEMBL30013260 0.84 ABCG2 (0.49) ABCG2EGFRC1RALDH1A1F7
SCHEMBL23576684 0.84 ABCG2 (0.49) ABCG2EGFRC1RALDH1A1F7
SCHEMBL24721300 0.82 ABCG2 (0.75) ABCG2MAPTOPRK1KMT2AEGFR

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-118324767-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2024-07-12 CN disclosed
CN-115362003-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2022-11-18 CN disclosed