SCHEMBL3247960

SCHEMBL3247960

COc1ccc(Nc2ccc(-c3ccccc3C=O)cn2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
PABPC1 P11940 2/20 0.51
ERN1 O75460 3/20 0.46
NPC1 O15118 3/20 0.43
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
PIK3CA P42336 2/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
RAB9A P51151 2/20 0.42
NAMPT P43490 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
FYN P06241 2/20 0.40
ACP1 P24666 1/20 0.40

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
SCHEMBL19127090 0.86 ERN1 (0.57) ERN1FYN
SCHEMBL3246021 0.78 TDP2 (0.44) ERN1NPC1LMNAPKMPIK3CA
SCHEMBL3247925 0.76 KDR (0.42) KMT2AMEN1NPC1RAB9AKDR
SCHEMBL3240510 0.76 KDR (0.45) KMT2AMEN1ERN1LMNAALDH1A1
SCHEMBL13356451 0.75 HDAC6 (0.49) KMT2AMEN1RAB9AALDH1A1KDR
SCHEMBL3262625 0.74 RHOA (0.51) KMT2AMEN1NPC1LMNAPKM
SCHEMBL3242077 0.73 CTSC (0.47) EGFR
SCHEMBL2542781 0.73 KMT2A (0.49) KMT2AMEN1PABPC1ERN1NPC1
SCHEMBL1375752 0.73 PIK3CA (0.52) KMT2AMEN1PABPC1NPC1PIK3CA
SCHEMBL3262264 0.73 TRIM24 (0.41) KMT2AMEN1ERN1LMNAPKM

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
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO claimed
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed