SCHEMBL28972163

SCHEMBL28972163

CCn1c2ccc(CNc3nc4ccccc4[nH]3)cc2c2cc(-c3c(C)noc3C)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 12/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ BRD4 O60885 5/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ CLK4 Q9HAZ1 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45

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
SCHEMBL30063917 1.00 LMNA (0.48) LMNATDP1BRD4CYP2C9SMN1; SMN2
SCHEMBL28972296 0.83 RAB9A (0.54) LMNATDP1SMN1; SMN2KDM4EMAPK1
SCHEMBL28972179 0.82 LMNA (0.49) LMNATDP1BRD4CYP2C9SMN1; SMN2
SCHEMBL30061974 0.82 LMNA (0.49) LMNATDP1BRD4CYP2C9SMN1; SMN2
SCHEMBL28972489 0.77 RAB9A (0.49) LMNATDP1SMN1; SMN2KDM4ETSHR
SCHEMBL28972487 0.70 LMNA (0.45) LMNATDP1SMN1; SMN2KDM4ETSHR
SCHEMBL30061980 0.70 LMNA (0.45) LMNATDP1SMN1; SMN2KDM4ETSHR
SCHEMBL28972240 0.69 RAB9A (0.42) LMNATDP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL31329350 0.68 RAB9A (0.71) LMNASMN1; SMN2TSHRHIF1AMEN1
SCHEMBL20362755 0.68 BRD4 (0.52) LMNABRD4CYP2C9SMN1; SMN2KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115667224-A SCL15A4 small molecule inhibitors with anti-inflammatory activity 斯克里普斯研究学院 2023-01-31 — — CN disclosed
Send feedback