SCHEMBL20042817

SCHEMBL20042817

Cc1ccc(C(=O)N2Cc3nc(C)nc(N4CCC4)c3C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GBA1 P04062 4/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HPGD P15428 1/20 0.42
P2RX7 Q99572 1/20 0.40
SLC6A7 Q99884 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
SMO Q99835 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL20042751 0.91 HSD17B10 (0.49) ALDH1A1GBA1MEN1KMT2AHPGD
SCHEMBL20042685 0.91 HTT (0.42) GBA1P2RX7SLC6A7
SCHEMBL20042839 0.90 P2RX7 (0.45) ALDH1A1GBA1MEN1KMT2AHPGD
SCHEMBL20042704 0.88 P2RX7 (0.50) ALDH1A1GBA1MEN1KMT2AHPGD
SCHEMBL20042728 0.88 MEN1 (0.42) ALDH1A1GBA1MEN1KMT2ASLC6A7
SCHEMBL20042671 0.87 P2RX7 (0.45) ALDH1A1GBA1KMT2AHPGDP2RX7
SCHEMBL20042755 0.86 GRM5 (0.43) ALDH1A1GBA1MEN1KMT2AHPGD
SCHEMBL20042668 0.86 HPGD (0.51) ALDH1A1GBA1MEN1KMT2AHPGD
SCHEMBL20042776 0.86 P2RX7 (0.41) GBA1MEN1KMT2AP2RX7KDM4E
SCHEMBL20042743 0.85 P2RX7 (0.40) GBA1HPGDP2RX7KDM4E

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
WO-2018066718-A1 THERAPEUTIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-04-12 WO disclosed