SCHEMBL31146578

SCHEMBL31146578

[N-]=[N+]=Nc1ccccc1C(=O)NCCNC(=O)c1ccccc1N=[N+]=[N-]

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 1/20 0.52
▸ TSHR P16473 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ HCRTR1 O43613 1/20 0.44
▸ NPC1 O15118 5/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ HPGD P15428 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ SCN1A P35498 1/20 0.40
▸ SCN2A Q99250 1/20 0.40
▸ SCN3A Q9NY46 1/20 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
SCHEMBL14060235 0.85 F2R (0.53) F2R
SCHEMBL16968451 0.78 F2R (0.46) F2RTSHRHTTNPC1HPGD
SCHEMBL29242369 0.78 F2R (0.47) F2RNPC1RAB9ASMN1; SMN2
SCHEMBL18065806 0.77 ALDH1A1 (0.50) F2RMAPK1HPGDSMN1; SMN2
SCHEMBL13960035 0.75 F2R (0.50) F2RSMN1; SMN2
SCHEMBL29978525 0.75 F2R (0.50) F2RSMN1; SMN2
SCHEMBL14435838 0.75 ALDH1A1 (0.44) F2RHPGD
SCHEMBL29442195 0.75 ALDH1A1 (0.50) F2RTSHRHTTNPC1RAB9A
SCHEMBL31633364 0.75 ALDH1A1 (0.48) F2RMAPK1HPGDSMN1; SMN2
SCHEMBL16371787 0.75 ALDH1A1 (0.50) F2RTSHRHTTNPC1RAB9A

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-105873949-B Novel anti-BAFF antibodies 勃林格殷格翰国际有限公司 2024-09-27 — — CN disclosed
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