SCHEMBL30224943

SCHEMBL30224943

COCCOCCOCc1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.40
FBP1 P09467 3/20 0.39
CYP19A1 P11511 1/20 0.39
XDH P47989 2/20 0.39
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
PLCG2 P16885 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34

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
SCHEMBL27237592 0.99 F2RL3 (0.41) F2RL3FBP1CYP19A1XDHALDH1A1
SCHEMBL30848953 0.99 F2RL3 (0.41) F2RL3FBP1CYP19A1XDHALDH1A1
SCHEMBL30224773 0.93 FBP1 (0.38) F2RL3FBP1CYP19A1XDHALDH1A1
SCHEMBL29185306 0.92 FBP1 (0.39) F2RL3FBP1CYP19A1XDHALDH1A1
SCHEMBL30224930 0.92 FBP1 (0.39) F2RL3FBP1CYP19A1XDHALDH1A1
SCHEMBL27237586 0.90 NPY5R (0.39) F2RL3FBP1CYP19A1XDHALDH1A1
SCHEMBL30224933 0.90 NPY5R (0.39) F2RL3FBP1CYP19A1XDHALDH1A1
SCHEMBL30224965 0.90 FBP1 (0.38) F2RL3FBP1CYP19A1XDHALDH1A1
SCHEMBL29185271 0.90 FBP1 (0.38) F2RL3FBP1CYP19A1XDHALDH1A1
SCHEMBL30224929 0.89 XDH (0.37) F2RL3FBP1XDHGAASMN1; SMN2

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