SCHEMBL29444554

SCHEMBL29444554

CN(C)[N+](C)(C)COn1nnc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
KMT2A Q03164 5/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
MAPT P10636 2/20 0.45
SLC9A1 P19634 4/20 0.42
KEAP1 Q14145 1/20 0.42
BRD4 O60885 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40

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
SCHEMBL30062492 0.94 TSHR (0.51) TSHRNPSR1RXFP1KMT2ANPC1
SCHEMBL29444556 0.80 FAAH (0.36) TSHRNPSR1RXFP1KMT2ANPC1
SCHEMBL31222700 0.80 TSHR (0.61) TSHRNPSR1RXFP1KMT2ANPC1
SCHEMBL4006352 0.77 TSHR (0.67) TSHRNPSR1RXFP1KMT2ANPC1
SCHEMBL58561 0.76 TSHR (0.49) TSHRNPSR1RXFP1KMT2ANPC1
SCHEMBL30714073 0.76 FAAH (0.34) TSHRNPSR1RXFP1NPC1RAB9A
Fluoride SCHEMBL6346 0.75 TSHR (0.47) TSHRNPSR1RXFP1KMT2ANPC1
SCHEMBL9483441 0.74 TSHR (0.63) TSHRNPSR1RXFP1KMT2ANPC1
SCHEMBL23146639 0.74 TSHR (0.67) TSHRNPSR1RXFP1KMT2ANPC1
SCHEMBL17103078 0.74 TSHR (0.67) TSHRNPSR1RXFP1KMT2ANPC1

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-119367364-A Substituted indazoles for the treatment and prevention of allergic and/or inflammatory diseases in animals 拜耳动物保健有限责任公司 2025-01-28 CN disclosed
CN-111699188-B [1,2,4] triazolo [4,3-a ] pyrazin-8-one derivatives 伊莱利利公司 2023-09-22 CN disclosed
CN-109152771-B Use of 2-substituted indazoles for the treatment and prevention of autoimmune diseases 拜耳医药股份有限公司 2022-07-19 CN disclosed
CN-110305109-B Novel substituted indazoles, method for the production thereof, pharmaceutical preparations containing same, and use thereof for producing medicaments 拜耳医药股份有限公司 2022-04-08 CN disclosed