SCHEMBL20042668

SCHEMBL20042668

Cc1cccc(C(=O)N2Cc3nc(C)nc(N4CCC4)c3C2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
P2RX7 Q99572 1/20 0.48
GBA1 P04062 1/20 0.48
GRM5 P41594 2/20 0.44
KDM4E B2RXH2 1/20 0.43
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 1/20 0.40
UBE2M P61081 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
SCHEMBL20042684 0.89 SMN1; SMN2 (0.52) HPGDP2RX7GRM5KDM4EHTT
SCHEMBL20042771 0.89 P2RX7 (0.47) HPGDP2RX7GRM5KDM4EHTT
SCHEMBL20042839 0.89 P2RX7 (0.45) HPGDP2RX7GBA1KDM4EHTT
SCHEMBL20042721 0.86 GRM5 (0.47) P2RX7GRM5L3MBTL1MEN1KMT2A
SCHEMBL20042652 0.86 P2RX7 (0.66) HPGDP2RX7GRM5KDM4EHTT
SCHEMBL20042817 0.86 PKM (0.44) HPGDP2RX7GBA1KDM4ELMNA
SCHEMBL20042671 0.85 P2RX7 (0.45) HPGDP2RX7GBA1HTTALDH1A1
SCHEMBL20042794 0.85 KDM4E (0.50) HPGDP2RX7GRM5KDM4EHTT
SCHEMBL20042872 0.84 P2RX7 (0.44) P2RX7GBA1LMNASMN1; SMN2
SCHEMBL20042873 0.84 P2RX7 (0.38) HPGDP2RX7GBA1KDM4EHTT

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