SCHEMBL22987048

SCHEMBL22987048

CC1(C)c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)sc4ccccc45)n3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
F9 P00740 1/20 0.34
ATM Q13315 1/20 0.33
GPR3 P46089 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALOX5 P09917 1/20 0.32
SLC9A1 P19634 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
LIMK1 P53667 2/20 0.31
GSK3A P49840 1/20 0.31

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
SCHEMBL15501777 0.93 MAPT (0.35) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL22986980 0.93 MAPT (0.34) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL21922517 0.91 MAPT (0.39) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL23263571 0.90 ALDH1A1 (0.35) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL24293966 0.90 ALDH1A1 (0.33) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL24039562 0.89 MAPT (0.38) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL24039410 0.89 MAPT (0.38) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL23263559 0.89 ALDH1A1 (0.33) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL25098293 0.89 ALDH1A1 (0.35) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL23263568 0.89 ALDH1A1 (0.35) MAPTALDH1A1HPGDRAB9ASMN1; SMN2

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
US-20210050528-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2021-02-18 US disclosed