SCHEMBL30224933

SCHEMBL30224933

CCOCCOCc1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.39
FBP1 P09467 4/20 0.39
CYP19A1 P11511 1/20 0.39
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
XDH P47989 2/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PPARG P37231 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
F2RL3 Q96RI0 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PLCG2 P16885 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32

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
SCHEMBL27237586 1.00 NPY5R (0.39) NPY5RFBP1CYP19A1PIM1PIM3
SCHEMBL30183195 0.94 CYP19A1 (0.41) NPY5RFBP1CYP19A1PIM1PIM3
SCHEMBL29205700 0.94 CYP19A1 (0.41) NPY5RFBP1CYP19A1PIM1PIM3
SCHEMBL27237621 0.92 FBP1 (0.40) NPY5RFBP1CYP19A1PIM1PIM3
SCHEMBL30848953 0.91 F2RL3 (0.41) NPY5RFBP1CYP19A1PIM1PIM3
SCHEMBL27237592 0.91 F2RL3 (0.41) NPY5RFBP1CYP19A1PIM1PIM3
SCHEMBL30224943 0.90 F2RL3 (0.40) FBP1CYP19A1PIM1PIM3XDH
SCHEMBL31022480 0.89 CYP19A1 (0.41) NPY5RFBP1CYP19A1PIM1PIM3
SCHEMBL29185282 0.89 FBP1 (0.42) NPY5RFBP1CYP19A1PIM1PIM3
SCHEMBL30848949 0.89 FBP1 (0.42) NPY5RFBP1CYP19A1PIM1PIM3

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-117794917-A Novel indole derivatives, pharmaceutical compositions containing the same and uses thereof 水疗免疫疗法有限公司 2024-03-29 CN disclosed
WO-2023013994-A1 NOVEL INDOLE DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 주식회사 미토이뮨테라퓨틱스 2023-02-09 WO disclosed