SCHEMBL31357331

SCHEMBL31357331

N#CCC(=O)Nc1ccc(Br)cn1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
RAB9A P51151 6/20 0.58
NPC1 O15118 5/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 2/20 0.50
GAA P10253 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
CDK9 P50750 1/20 0.49

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
SCHEMBL9191562 1.00 TSHR (0.61) TSHRRAB9ANPC1MEN1KMT2A
SCHEMBL18172092 0.81 CA12 (0.41) TSHRRAB9AMEN1KMT2AALDH1A1
SCHEMBL9191455 0.81 TDP1 (0.63) TSHRRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL31165861 0.81 AR (0.48) MEN1KMT2ASMN1; SMN2
SCHEMBL15004187 0.80 TSHR (0.69) TSHRRAB9ANPC1MEN1KMT2A
SCHEMBL21808421 0.79 ADRB1 (0.41) TSHRRAB9AMEN1KMT2AALDH1A1
SCHEMBL31357344 0.79 ADRB1 (0.41) TSHRRAB9AMEN1KMT2AALDH1A1
SCHEMBL7936077 0.79 TSHR (0.67) TSHRRAB9ANPC1MEN1KMT2A
SCHEMBL7030047 0.79 RAB9A (0.72) TSHRRAB9ANPC1MEN1KMT2A
SCHEMBL27886032 0.79 TSHR (0.77) TSHRRAB9ANPC1MEN1KMT2A

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-112739695-B Novel thiazole derivative and pharmaceutically acceptable salt thereof 永进药品工业株式会社 2025-03-18 CN disclosed