SCHEMBL30996527

SCHEMBL30996527

Cc1nc(Cl)ccc1C(=O)CBr

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HPGDS O60760 1/20 0.41
▸ GABRP O00591 1/20 0.41
▸ GABRD O14764 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ GABRB2 P47870 1/20 0.41
▸ GABRA4 P48169 1/20 0.41
▸ GABRE P78334 1/20 0.41
▸ GABRA6 Q16445 1/20 0.41
▸ GABRG1 Q8N1C3 1/20 0.41

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
SCHEMBL25224525 1.00 PTPN1 (0.43) PTPN1ALDH1A1MAPTKMT2AMEN1
SCHEMBL25702940 0.82 GABRP (0.62) PTPN1ALDH1A1MAPTKMT2AMEN1
SCHEMBL642295 0.81 PTPN1 (0.46) PTPN1ALDH1A1MAPTKMT2AMEN1
Bromide SCHEMBL16754110 0.81 GABRP (0.61) PTPN1ALDH1A1MAPTKMT2AMEN1
SCHEMBL12410963 0.77 SMN1; SMN2 (0.54) ALDH1A1MAPTKMT2AMEN1GABRP
SCHEMBL398966 0.77 GABRP (0.66) ALDH1A1KMT2AMEN1GABRPGABRD
SCHEMBL29524409 0.77 GABRP (0.66) ALDH1A1KMT2AMEN1GABRPGABRD
SCHEMBL403869 0.77 GABRP (0.46) ALDH1A1MAPTKMT2AMEN1GABRP
SCHEMBL30996511 0.77 SMN1; SMN2 (0.54) ALDH1A1MAPTKMT2AMEN1GABRP
SCHEMBL18397167 0.76 NNMT (0.63) PTPN1ALDH1A1MAPTKMT2AMEN1

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-118369317-A Melanocortin 4 receptor antagonists and uses thereof 辉瑞大药厂 2024-07-19 — — CN disclosed
Send feedback