SCHEMBL30486887

SCHEMBL30486887

COc1cnc2c(c1)c(C(=O)OC(C)(C)C)c(Cl)n2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 4/20 0.38
▸ GABRG2 P18507 8/20 0.36
▸ GABRB3 P28472 8/20 0.36
▸ GABRA5 P31644 8/20 0.36
▸ GABRA1 P14867 7/20 0.36
▸ GABRA3 P34903 6/20 0.36
▸ GABRA6 Q16445 5/20 0.36
▸ HPGD P15428 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GABRA2 P47869 5/20 0.32
▸ GABRA4 P48169 3/20 0.32
▸ MTNR1B P49286 2/20 0.32
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ GABRE P78334 1/20 0.32
▸ GABRG1 Q8N1C3 1/20 0.32
▸ GABRG3 Q99928 1/20 0.32

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
SCHEMBL21979507 1.00 MTNR1A (0.38) MTNR1AGABRG2GABRB3GABRA5GABRA1
SCHEMBL21979493 0.83 MTNR1A (0.42) MTNR1AHPGDMAPTSMN1; SMN2MTNR1B
SCHEMBL21979502 0.76 EGFR (0.42) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL30486883 0.76 EGFR (0.42) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL21979504 0.75 MTNR1A (0.50) MTNR1AGABRG2GABRB3GABRA5GABRA1
SCHEMBL30486882 0.75 MTNR1A (0.50) MTNR1AGABRG2GABRB3GABRA5GABRA1
SCHEMBL26047198 0.74 CSF1R (0.41) —
SCHEMBL22039975 0.73 MAP2K1 (0.42) —
SCHEMBL29376483 0.73 MAP2K1 (0.42) —
SCHEMBL30486891 0.73 MAP2K1 (0.42) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119215031-A Arylaniline and heteroaryl aniline compounds for the treatment of skin cancer 恩福莱克逊治疗有限公司 2024-12-31 — — CN disclosed
CN-113645964-B Arylaniline and heteroaryl aniline compounds for fetal treatment 恩福莱克逊治疗有限公司 2024-10-11 — — CN disclosed
CN-113660931-B Arylaniline and heteroaryl aniline compounds for the treatment of skin cancer 恩福莱克逊治疗有限公司 2024-10-11 — — CN disclosed
CN-111065393-B Pyrrolopyridine-anilines for the treatment of skin disorders 恩福莱克逊治疗有限公司 2023-08-18 — — CN disclosed
Send feedback