SCHEMBL30185699

SCHEMBL30185699

Cc1cc(C(N)=O)c(C)n1-c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 6/20 0.46
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 10/20 0.45
NOTUM Q6P988 3/20 0.45
RAB9A P51151 5/20 0.44
NPC1 O15118 5/20 0.44
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
S1PR4 O95977 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
XBP1 P17861 1/20 0.42
PLK4 O00444 1/20 0.41

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
SCHEMBL18356528 0.82 ALDH1A1 (0.64) SMN1; SMN2KDM4EALDH1A1NOTUMRAB9A
SCHEMBL29626186 0.77 POLB (0.44) HPGDTSHRSMN1; SMN2KDM4EALDH1A1
SCHEMBL30672148 0.77 MERTK (0.42) HPGDSMN1; SMN2KDM4EALDH1A1NPSR1
SCHEMBL13369853 0.75 KLKB1 (0.63)
SCHEMBL30672466 0.75 ALDH1A1 (0.43) HPGDSMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL30672493 0.74 ALDH1A1 (0.43) HPGDTSHRSMN1; SMN2KDM4EALDH1A1
SCHEMBL30672459 0.74 SMN1; SMN2 (0.38) HPGDTSHRSMN1; SMN2KDM4EALDH1A1
SCHEMBL20033206 0.73 SMN1; SMN2 (0.51) HPGDSMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL28802530 0.73 ALDH1A1 (0.68) HPGDSMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL22631221 0.72 KMT2A (0.67) TSHRSMN1; SMN2ALDH1A1RAB9ANPC1

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-115536648-A Polycyclic compound for inhibiting RNA helicase DHX33 and application thereof 深圳开悦生命科技有限公司 2022-12-30 CN disclosed