SCHEMBL25328491

SCHEMBL25328491

N#Cc1ccc(NN=C(Br)Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 1/20 0.52
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 6/20 0.47
THRB P10828 1/20 0.47
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
IDO1 P14902 1/20 0.42
MMP2 P08253 1/20 0.42
CA9 Q16790 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
NLRP3 Q96P20 1/20 0.41
CA1 P00915 1/20 0.40
MEN1 O00255 3/20 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
SCHEMBL30677099 0.77 HTT (0.45) CYP1B1HTTSMN1; SMN2MAPTTHRB
SCHEMBL18133120 0.74 CYP1B1 (0.46) CYP1B1HTTSMN1; SMN2MAPTTHRB
SCHEMBL518484 0.74 HTT (0.52) CYP1B1HTTSMN1; SMN2MAPTTHRB
SCHEMBL15710896 0.73 MAPT (0.49) HTTSMN1; SMN2MAPTTHRBLMNA
SCHEMBL6132425 0.73 CYP1B1 (0.49) CYP1B1HTTSMN1; SMN2MAPTTHRB
SCHEMBL6132428 0.73 CYP1B1 (0.49) CYP1B1HTTSMN1; SMN2MAPTTHRB
SCHEMBL15939608 0.72 ALDH1A1 (0.49) HTTSMN1; SMN2MAPTTHRBIDO1
SCHEMBL24130390 0.72 MAPT (0.59) CYP1B1HTTSMN1; SMN2MAPTTHRB
SCHEMBL12670654 0.72 MAPT (0.64) CYP1B1HTTSMN1; SMN2MAPTTHRB
SCHEMBL11730442 0.72 MAPT (0.64) CYP1B1HTTSMN1; SMN2MAPTTHRB

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
CN-118696037-A Azacyclic amide derivatives, preparation method and medical application thereof 翰森生物有限责任公司 2024-09-24 CN disclosed
WO-2023143355-A1 AZACYCLE AMIDE DERIVATIVE, PREPARATION METHODS AND MEDICINAL USES THEREOF HANSOH BIO LLC (US) 2023-08-03 WO disclosed