SCHEMBL30649148

SCHEMBL30649148

Oc1nc2cc3ccccc3n2c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.36
DAO P14920 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PBRM1 Q86U86 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TRPM4 Q8TD43 1/20 0.34
KMT2A Q03164 6/20 0.33
MEN1 O00255 5/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 3/20 0.33
CHEK1 O14757 1/20 0.33
NQO2 P16083 1/20 0.33
RECQL P46063 1/20 0.33
CYP1A2 P05177 1/20 0.32
GAA P10253 2/20 0.32
PKM P14618 1/20 0.32
CASP1 P29466 1/20 0.32
GALK1 P51570 1/20 0.32

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
SCHEMBL20821383 0.70 GPR3 (0.42) TERTDAOSMN1; SMN2L3MBTL1KMT2A
SCHEMBL29354440 0.69 SMN1; SMN2 (0.39) TERTDAOSMN1; SMN2PBRM1L3MBTL1
SCHEMBL4510784 0.69 SMN1; SMN2 (0.39) TERTDAOSMN1; SMN2PBRM1L3MBTL1
SCHEMBL16050180 0.69 ENPP3 (0.41) TERTSMN1; SMN2L3MBTL1TRPM4KMT2A
SCHEMBL31116733 0.69 ENPP3 (0.41) TERTSMN1; SMN2L3MBTL1TRPM4KMT2A
SCHEMBL3547426 0.67 KDM4E (0.49) SMN1; SMN2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL6786929 0.66 KDM4E (0.44) SMN1; SMN2PBRM1L3MBTL1KMT2AMEN1
SCHEMBL143866 0.64 CDC25B (0.37) TERTDAOSMN1; SMN2PBRM1L3MBTL1
SCHEMBL18069003 0.64 ENPP3 (0.38) TERTSMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL18025278 0.63 KDM4E (0.42) TERTSMN1; SMN2KMT2AMEN1ALDH1A1

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
US-20240034799-A1 METHODS AND SYSTEMS OF STRATIFYING INFLAMMATORY DISEASE PATIENTS CEDARS SINAI MEDICAL CENTER (US) 2024-02-01 US disclosed
US-20230279491-A1 TREATMENTS FOR A SUB-POPULATION OF INFLAMMATORY BOWEL DISEASE PATIENTS CEDARS-SINAI MEDICAL CENTER 2023-09-07 US disclosed