SCHEMBL8188037

SCHEMBL8188037

O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.77
▸ KMT2A Q03164 7/20 0.69
▸ MEN1 O00255 6/20 0.69
▸ LMNA P02545 2/20 0.69
▸ APOBEC3A P31941 1/20 0.69
▸ APOBEC3G Q9HC16 1/20 0.69
▸ SMN1; SMN2 Q16637 3/20 0.68
▸ USP2 O75604 2/20 0.68
▸ HSD17B10 Q99714 2/20 0.68
▸ MAPT P10636 4/20 0.67
▸ ALOX12 P18054 1/20 0.67
▸ ALOX5 P09917 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ PKM P14618 1/20 0.62
▸ KDM4E B2RXH2 1/20 0.61
▸ GAA P10253 1/20 0.61
▸ HPGD P15428 1/20 0.60
▸ POLB P06746 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ ATM Q13315 1/20 0.59

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
SCHEMBL16208771 0.86 ALDH1A1 (0.74) ALDH1A1KMT2AMEN1LMNAAPOBEC3A
SCHEMBL28513685 0.80 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1LMNAAPOBEC3A
SCHEMBL24209778 0.79 NPSR1 (0.67) ALDH1A1KMT2AMEN1LMNAAPOBEC3A
SCHEMBL1702530 0.78 CYP1A2 (0.92) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL24209697 0.78 ALDH1A1 (0.82) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL24210088 0.76 KMT2A (0.83) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL24209779 0.76 KMT2A (0.76) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL24209749 0.76 KMT2A (0.82) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL27804013 0.75 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL6346019 0.75 KMT2A (0.76) ALDH1A1KMT2AMEN1LMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008118626-A9 INHIBITORS OF JNK AND METHODS FOR IDENTIFYING INHIBITORS OF JNK BURNHAM INST MEDICAL RESEARCH (US) 2008-12-18 — — WO disclosed
WO-2008118626-A2 INHIBITORS OF JNK AND METHODS FOR IDENTIFYING INHIBITORS OF JNK BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2008-10-02 — — WO disclosed
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