SCHEMBL7349396

SCHEMBL7349396

Brc1ccc(NCc2ccccc2)c(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.51
▸ HPGD P15428 2/20 0.51
▸ LMNA P02545 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ MAPT P10636 3/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ IDO1 P14902 1/20 0.46
▸ POLB P06746 2/20 0.46
▸ TSHR P16473 1/20 0.43
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ GABRA5 P31644 1/20 0.42
▸ GABRA3 P34903 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42

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
SCHEMBL11511112 0.90 KMT2A (0.47) KMT2AHPGDLMNASMN1; SMN2HTT
SCHEMBL11610221 0.82 KMT2A (0.49) KMT2AHPGDLMNASMN1; SMN2HTT
SCHEMBL3235742 0.82 SMN1; SMN2 (0.47) KMT2AHPGDLMNASMN1; SMN2HTT
SCHEMBL16299041 0.82 MAPT (0.57) KMT2ALMNASMN1; SMN2HTTKDM4E
SCHEMBL9729001 0.82 SMN1; SMN2 (0.52) KMT2AHPGDLMNASMN1; SMN2HTT
SCHEMBL8239030 0.80 HSD17B10 (0.59) KMT2AHPGDHTTKDM4EMAPT
SCHEMBL15854548 0.79 HDAC8 (0.60) KMT2AHPGDLMNASMN1; SMN2HTT
SCHEMBL12684764 0.79 HDAC1 (0.60) KMT2AHPGDLMNASMN1; SMN2HTT
SCHEMBL1519151 0.79 SMN1; SMN2 (0.47) KMT2AHPGDLMNASMN1; SMN2HTT
SCHEMBL10873524 0.79 IDO1 (0.56) KMT2AHPGDLMNASMN1; SMN2HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0598962-B1 Imidazole derivatives as calcium channel blockers NEUROSEARCH AS (DK) 1999-02-17 — — EP disclosed
EP-0598962-A1 Imidazole derivatives as calcium channel blockers NEUROSEARCH A/S (DK) 1994-06-01 — — EP disclosed
US-5296493-A Analgesics or antiischemics NEUROSEARCH A/S (DK) 1994-03-22 — — US disclosed
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