SCHEMBL29940962

SCHEMBL29940962

Clc1ccc2ncc(Br)c(Cl)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.46
PARP1 P09874 1/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
GABRA1 P14867 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA6 Q16445 2/20 0.40
GABRA2 P47869 1/20 0.40
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EGFR P00533 1/20 0.37
CSF1R P07333 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
SCHEMBL25668139 1.00 NR4A2 (0.46) NR4A2PARP1LMNACYP1A2CYP2D6
SCHEMBL18283388 0.89 NR4A2 (0.46) NR4A2LMNACYP1A2CYP2D6MEN1
SCHEMBL437551 0.81 NR4A2 (0.51) NR4A2PARP1CYP1A2CYP2D6GABRA1
SCHEMBL1346739 0.81 NR4A2 (0.43) NR4A2PARP1LMNACYP1A2CYP2D6
SCHEMBL30120338 0.81 ESR2 (0.42) PARP1LMNAKDM4EMEN1KMT2A
SCHEMBL31384389 0.80 MAOA (0.50) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL6822558 0.80 MAOA (0.50) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL31413713 0.78 NR4A2 (0.40) NR4A2PARP1LMNAGABRA1GABRG2
SCHEMBL31384368 0.78 LMNA (0.43) LMNAGABRA1GABRG2GABRB3GABRA5
SCHEMBL6786993 0.78 PIK3CA (0.40) HTT

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-115557929-A Somatostatin modulators and uses thereof 克林提克斯医药股份有限公司 2023-01-03 CN disclosed
CN-109715612-B Somatostatin modulators and uses thereof 克林提克斯医药股份有限公司 2022-09-16 CN disclosed