SCHEMBL28516755

SCHEMBL28516755

Cc1c(C(=O)NC(N)=O)ccc(N2CCOCC2)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.45
MAPT P10636 6/20 0.45
NPC1 O15118 5/20 0.45
ALDH1A1 P00352 9/20 0.44
HTT P42858 4/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 6/20 0.42
TDP1 Q9NUW8 3/20 0.42
PKM P14618 3/20 0.42
ITGA4 P13612 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MITF O75030 1/20 0.42
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.42
G6PD P11413 1/20 0.42
MC4R P32245 1/20 0.42
OPRK1 P41145 1/20 0.42
CCR6 P51684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42

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
SCHEMBL827916 0.73 ALDH1A1 (0.48) RAB9AMAPTNPC1ALDH1A1HTT
Hydrochloric Acid SCHEMBL5054618 0.70 MAPT (0.47) MAPTALDH1A1KDM4ENPSR1SMN1; SMN2
SCHEMBL6073272 0.70 MAPT (0.47) RAB9AMAPTNPC1ALDH1A1HTT
SCHEMBL7563004 0.70 ALDH1A1 (0.44) RAB9AMAPTNPC1ALDH1A1HTT
SCHEMBL17529452 0.69 CTSB (0.51) RAB9AMAPTALDH1A1HTTKDM4E
SCHEMBL27442187 0.69 SMN1; SMN2 (0.49) RAB9AALDH1A1HTTKDM4ELMNA
SCHEMBL29639819 0.69 MAPK9 (0.53) RAB9AMAPTNPC1ALDH1A1HTT
SCHEMBL7089470 0.68 KDM4E (0.45) RAB9AMAPTNPC1ALDH1A1HTT
SCHEMBL28685228 0.68 MAPT (0.41) RAB9AMAPTNPC1ALDH1A1HTT
SCHEMBL27357409 0.68 KDM4E (0.53) RAB9AMAPTNPC1ALDH1A1HTT

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
CN-106573915-B Compounds active against bromodomains 纽韦卢森公司 2020-12-25 CN claimed