SCHEMBL7263567

SCHEMBL7263567

c1ccc(Nc2nc3ccccc3c3occc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 6/20 0.56
▸ NPY5R Q15761 3/20 0.56
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ ABCG2 Q9UNQ0 3/20 0.53
▸ ALDH1A1 P00352 4/20 0.51
▸ CLK4 Q9HAZ1 4/20 0.51
▸ USP2 O75604 3/20 0.51
▸ CYP1A2 P05177 3/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ KDM1A O60341 1/20 0.49
▸ ALOX15 P16050 1/20 0.48
▸ SLC2A1 P11166 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ POLB P06746 1/20 0.48

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
SCHEMBL7267860 0.81 MEN1 (0.65) PDE5AMEN1KMT2AABCG2ALDH1A1
SCHEMBL7269225 0.79 ABCG2 (0.45) PDE5ANPY5RMEN1KMT2AABCG2
SCHEMBL7269218 0.79 ABCG2 (0.45) PDE5ANPY5RMEN1KMT2AABCG2
SCHEMBL7262716 0.79 MEN1 (0.48) PDE5AMEN1KMT2AABCG2LMNA
SCHEMBL10135256 0.78 NPY5R (0.67) PDE5ANPY5RMEN1KMT2AABCG2
SCHEMBL7270105 0.76 PDE5A (0.47) PDE5AMEN1KMT2AABCG2LMNA
SCHEMBL7262166 0.74 MAOA (0.45) PDE5AMEN1KMT2AALDH1A1HSD17B10
SCHEMBL13903883 0.73 MEN1 (0.69) PDE5ANPY5RMEN1KMT2AABCG2
SCHEMBL6714548 0.72 KDM1A (0.66) MEN1KMT2ACYP1A2LMNACYP2D6
SCHEMBL7434073 0.72 PDE5A (1.00) PDE5ANPY5RMEN1KMT2AABCG2

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-6656949-B1 Ability to inhibit the growth of a variety of tumor/cancer cells (particularly melanoma cell lines UACC-62 and UACC-257, and one of the renal cancer cell lines, i.e. UO-31) KAOHSIUNG MEDICAL UNIVERSITY (TW) 2003-12-02 — — US disclosed
US-6656949-B1 Ability to inhibit the growth of a variety of tumor/cancer cells (particularly melanoma cell lines UACC-62 and UACC-257, and one of the renal cancer cell lines, i.e. UO-31) KAOHSIUNG MEDICAL UNIVERSITY (TW) 2003-12-02 — — US disclosed
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