SCHEMBL27632829

SCHEMBL27632829

Cc1cc(NC(=O)C(C)Br)cc(C)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
ACP1 P24666 3/20 0.38
THRB P10828 1/20 0.37
MAPT P10636 2/20 0.37
PTPN12 Q05209 1/20 0.36
STAT3 P40763 1/20 0.36
NOD2 Q9HC29 1/20 0.36
JAK3 P52333 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL13064672 0.84 TAAR1 (0.47) LMNAHTTKMT2ANPSR1ALDH1A1
SCHEMBL6864047 0.78 ALDH1A1 (0.41) LMNAHTTKMT2ANPSR1ALDH1A1
SCHEMBL850463 0.76 LMNA (0.54) LMNAHTTKMT2AALDH1A1MAPT
SCHEMBL3682694 0.76 HTT (0.55) HTTKMT2ANPSR1ALDH1A1HPGD
SCHEMBL27670903 0.75 KIF11 (0.46) LMNAKMT2AALDH1A1THRBMAPT
SCHEMBL1636346 0.74 ALDH1A1 (0.51) LMNAKMT2ANPSR1ALDH1A1HPGD
SCHEMBL879705 0.73 SMN1; SMN2 (0.47) LMNAKMT2ANPSR1ALDH1A1HPGD
SCHEMBL3868208 0.73 MEN1 (0.57) LMNAHTTKMT2AALDH1A1HPGD
SCHEMBL20150737 0.73 MAPT (0.67) LMNAHTTKMT2AALDH1A1MAPT
SCHEMBL4820385 0.71 HSD17B10 (0.61) KMT2AALDH1A1HPGDSMN1; SMN2CYP1A2

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-1692115-A Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO LTD (JP) 2005-11-02 CN disclosed