SCHEMBL10990825

SCHEMBL10990825

N#CC(=CNc1nc2c(s1)CCC2)c1nnn[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.37
▸ RAB9A P51151 12/20 0.37
▸ SMN1; SMN2 Q16637 9/20 0.37
▸ MAPT P10636 8/20 0.37
▸ ALDH1A1 P00352 7/20 0.37
▸ GAA P10253 6/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ NPC1 O15118 10/20 0.34
▸ POLB P06746 4/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ HPGD P15428 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ MITF O75030 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ GRM1 Q13255 1/20 0.32
▸ TMIGD3 P0DMS9 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ HTT P42858 3/20 0.31
▸ HSD17B10 Q99714 3/20 0.31

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
SCHEMBL10996172 0.81 TSHR (0.43) TSHRRAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL10987783 0.72 MEN1 (0.41) RAB9ASMN1; SMN2MAPTALDH1A1GAA
SCHEMBL10987773 0.72 MEN1 (0.41) RAB9ASMN1; SMN2MAPTALDH1A1GAA
SCHEMBL10991118 0.70 MAPT (0.33) TSHRRAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL10990642 0.66 MAPT (0.46) RAB9ASMN1; SMN2MAPTALDH1A1GAA
SCHEMBL10988567 0.66 DYRK1A (0.48) TSHRRAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL10993495 0.64 GAA (0.32) MAPTGAAKMT2AMEN1LMNA
SCHEMBL11034895 0.62 MAPT (0.50) RAB9ASMN1; SMN2MAPTALDH1A1GAA
SCHEMBL4318522 0.62 GAA (0.43) TSHRRAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL211172 0.62 TSHR (0.53) TSHRRAB9ASMN1; SMN2MAPTALDH1A1

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
US-4491587-A ANTIALLERGENS, ANTIHISTAMINES, MUSCLE RELAXANTS/ INSULATING POWDER BLANKET ABOVD THE MELT WITH HEAT GENERATED IN THE MELT BY ELECTRIC CURRENT; LOWER TEMPERATURE MEAD JOHNSON & COMPANY (US) 1985-01-01 — — US disclosed
US-4223031-A ANTIALLERGENS, ANTIHISTAMINES, BRONCHODILATOR AGENTS, HYPERSENSITIVITY MEAD JOHNSON & COMPANY (US) 1980-09-16 — — US disclosed
Send feedback