SCHEMBL30224929

SCHEMBL30224929

COCCOCc1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.37
FBP1 P09467 3/20 0.36
CHEK1 O14757 1/20 0.33
PTGES O14684 1/20 0.33
F2RL3 Q96RI0 1/20 0.32
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 2/20 0.31
ABL1 P00519 1/20 0.30
BCR P11274 1/20 0.30
GFER P55789 1/20 0.30
PKM P14618 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL30848953 0.90 F2RL3 (0.41) XDHFBP1F2RL3MAPTSMN1; SMN2
SCHEMBL27237592 0.90 F2RL3 (0.41) XDHFBP1F2RL3MAPTSMN1; SMN2
SCHEMBL30224943 0.89 F2RL3 (0.40) XDHFBP1CHEK1F2RL3SMN1; SMN2
SCHEMBL30224902 0.89 XDH (0.36) XDHFBP1CHEK1PTGESF2RL3
SCHEMBL30224773 0.84 FBP1 (0.38) XDHFBP1F2RL3MAPTSMN1; SMN2
SCHEMBL30224797 0.84 ALDH1A1 (0.37) XDHFBP1PTGESF2RL3MAPT
SCHEMBL30224933 0.82 NPY5R (0.39) XDHFBP1F2RL3MAPTNPC1
SCHEMBL27237586 0.82 NPY5R (0.39) XDHFBP1F2RL3MAPTNPC1
SCHEMBL31022480 0.81 CYP19A1 (0.41) XDHFBP1NPC1RAB9APOLB
SCHEMBL29185293 0.81 EGFR (0.32)

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