SCHEMBL30224906

SCHEMBL30224906

COCCOCc1cc(N)c2[nH]c(-c3cccc(F)c3)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
HPGD P15428 4/20 0.38
KDM4E B2RXH2 3/20 0.38
AHR P35869 1/20 0.38
LMNA P02545 3/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPY5R Q15761 1/20 0.34
CYP1A1 P04798 2/20 0.33
MAPT P10636 2/20 0.32
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
EGFR P00533 2/20 0.32
CSF1R P07333 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
MPO P05164 1/20 0.32
AR P10275 1/20 0.31
GBA1 P04062 1/20 0.31
UGCG Q16739 1/20 0.31

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
SCHEMBL24988903 0.88 NPY5R (0.38) KDM4ENPY5RMAPTEGFRCSF1R
SCHEMBL30224912 0.86 EGFR (0.38) KDM4ENPY5RMAPTEGFRCSF1R
SCHEMBL30224797 0.83 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EAHRLMNA
SCHEMBL29185293 0.82 EGFR (0.32) ALDH1A1EGFRCSF1R
SCHEMBL24988673 0.81 NPY5R (0.39) ALDH1A1HPGDKDM4EAHRLMNA
SCHEMBL30224766 0.81 NPY5R (0.37) KDM4ENPY5RMAPTEGFRCSF1R
SCHEMBL27237584 0.79 EGFR (0.31) EGFRCSF1R
SCHEMBL24988860 0.78 NPY5R (0.43) KDM4ENPY5RMAPT
SCHEMBL29185320 0.78 EGFR (0.32) EGFRCSF1R
SCHEMBL30224808 0.78 EGFR (0.32) EGFRCSF1R

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