SCHEMBL29979608

SCHEMBL29979608

O=C(Nc1ccc2c(c1)N(CC1CC1)CCS2)Nc1ccc2cc[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
CCR3 P51677 1/20 0.41
MAPT P10636 6/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX1 P07099 1/20 0.39
PYGL P06737 1/20 0.39
ESR1 P03372 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 1/20 0.39
RXFP2 Q8WXD0 1/20 0.37
IDH1 O75874 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36

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
SCHEMBL23769045 1.00 MAOA (0.41) MAOACCR3MAPTKDM4EMEN1
SCHEMBL23769412 0.96 CCR3 (0.45) MAOACCR3MAPTKDM4EMEN1
SCHEMBL29978836 0.96 CCR3 (0.45) MAOACCR3MAPTKDM4EMEN1
SCHEMBL29978763 0.83 KDM4E (0.42) MAOACCR3MAPTKDM4EMEN1
SCHEMBL23769410 0.83 KDM4E (0.42) MAOACCR3MAPTKDM4EMEN1
SCHEMBL29978853 0.83 MAPT (0.56) MAPTKDM4EALDH1A1SMN1; SMN2TP53
SCHEMBL23769036 0.83 MAPT (0.56) MAPTKDM4EALDH1A1SMN1; SMN2TP53
SCHEMBL23769043 0.82 MAPT (0.47) MAOAMAPTKDM4EALDH1A1PYGL
SCHEMBL29978517 0.82 MAPT (0.47) MAOAMAPTKDM4EALDH1A1PYGL
SCHEMBL23769417 0.81 NPC1 (0.50) MAOAMAPTKDM4EMEN1ALDH1A1

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-115151304-B Small molecule interferon gene stimulating factor (STING) antagonists 库拉德夫制药私人有限公司 2025-02-11 CN claimed
CN-115151304-A Small molecule interferon gene stimulating factor (STING) antagonists 库拉德夫制药私人有限公司 2022-10-04 CN claimed