SCHEMBL30856635

SCHEMBL30856635

Cc1nc2ccc([N+](=O)[O-])cc2n1C1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 2/20 0.46
CCNT1 O60563 1/20 0.46
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GFER P55789 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
RHOA P61586 1/20 0.41
POLB P06746 3/20 0.40
RAB9A P51151 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
SCHEMBL2481608 0.78 RAB9A (0.52) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL17678354 0.77 CYP11B2 (0.58) CDK9CCNT1MAPTALDH1A1L3MBTL1
Ammonia Solution, Strong SCHEMBL29063683 0.77 RAB9A (0.51) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL17678202 0.75 CDK9 (0.51) CDK9CCNT1MAPTALDH1A1L3MBTL1
SCHEMBL30847394 0.75 CDK9 (0.51) CDK9CCNT1MAPTALDH1A1L3MBTL1
SCHEMBL30856700 0.75 KDM4E (0.65) CDK9CCNT1MAPTALDH1A1L3MBTL1
SCHEMBL7261471 0.74 CYP1A2 (0.56) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL3969164 0.74 MEN1 (0.50) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL3964662 0.73 MEN1 (0.53) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL21025787 0.72 CYP11B2 (0.49) CDK9CCNT1MAPTALDH1A1SMN1; SMN2

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-117917405-A KIF18A protein inhibitors 杭州邦顺制药有限公司 2024-04-23 CN disclosed