SCHEMBL7313399

SCHEMBL7313399

COC(=O)c1ccc(-c2nnc(-c3ccc(N4CCCCC4)nc3)s2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
CRBN Q96SW2 4/20 0.47
HRH3 Q9Y5N1 3/20 0.45
HPGD P15428 3/20 0.44
ALDH1A1 P00352 3/20 0.44
SMO Q99835 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDE4D Q08499 1/20 0.43
PDE7A Q13946 1/20 0.43
CNR2 P34972 2/20 0.43
UBE2T Q9NPD8 1/20 0.43
OGA O60502 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
DDB1 Q16531 2/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL27527905 0.86 CSNK2A2 (0.48) HRH3HPGDALDH1A1SMOSMN1; SMN2
Hydrochloric Acid SCHEMBL7324545 0.85 CSNK2A2 (0.47) HRH3HPGDALDH1A1SMOSMN1; SMN2
SCHEMBL7339724 0.84 ALDH1A1 (0.52) KMT2ANPC1RAB9AHRH3ALDH1A1
SCHEMBL7326778 0.84 RAB9A (0.71) KMT2ANPC1RAB9ACRBNHRH3
SCHEMBL6132162 0.83 HRH3 (0.52) KMT2ANPC1RAB9ACRBNHRH3
SCHEMBL3895677 0.83 RAB9A (0.72) KMT2ANPC1RAB9ACRBNHRH3
SCHEMBL6132762 0.81 HRH3 (0.49) KMT2ANPC1RAB9ACRBNHRH3
SCHEMBL7325387 0.80 NPC1 (0.58) KMT2ANPC1RAB9ACRBNHRH3
SCHEMBL7314321 0.79 HDAC6 (0.48) KMT2ANPC1RAB9AHPGDALDH1A1
SCHEMBL6375649 0.77 KMT2A (0.58) KMT2ANPC1RAB9AHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1240713-C New compound FUJISAWA PHARMACEUTICAL CO (JP) 2006-02-08 CN disclosed
CN-1296494-A New compound FUJISAWA PHARMACEUTICAL CO (JP) 2001-05-23 CN disclosed
US-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed
EP-1053247-A1 ANTIFUNGAL CYCLOHEXAPEPTIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-22 EP disclosed
WO-1999040108-A1 NEW COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-12 WO disclosed