SCHEMBL30224930

SCHEMBL30224930

COCCOCCc1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.39
CYP19A1 P11511 1/20 0.39
XDH P47989 2/20 0.39
F2RL3 Q96RI0 1/20 0.38
PLCG2 P16885 1/20 0.36
CHEK1 O14757 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 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

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
SCHEMBL29185306 1.00 FBP1 (0.39) FBP1CYP19A1XDHF2RL3PLCG2
SCHEMBL29185271 0.94 FBP1 (0.38) FBP1CYP19A1XDHF2RL3PLCG2
SCHEMBL30224965 0.94 FBP1 (0.38) FBP1CYP19A1XDHF2RL3PLCG2
SCHEMBL29205659 0.93 CYP19A1 (0.41) FBP1CYP19A1XDHPLCG2CYP11B1
SCHEMBL30224943 0.92 F2RL3 (0.40) FBP1CYP19A1XDHF2RL3PLCG2
SCHEMBL30848953 0.90 F2RL3 (0.41) FBP1CYP19A1XDHF2RL3PLCG2
SCHEMBL27237592 0.90 F2RL3 (0.41) FBP1CYP19A1XDHF2RL3PLCG2
SCHEMBL30848959 0.88 FBP1 (0.39) FBP1CYP19A1XDHPLCG2ALDH1A1
SCHEMBL29185287 0.88 FBP1 (0.39) FBP1CYP19A1XDHPLCG2ALDH1A1
SCHEMBL31022564 0.88 FBP1 (0.39) FBP1CYP19A1XDHPLCG2ALDH1A1

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