SCHEMBL20143814

SCHEMBL20143814

CCC(C)(C)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP3 P42574 1/20 0.41
ATM Q13315 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
POLB P06746 2/20 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
SCHEMBL19731976 1.00 L3MBTL1 (0.48) L3MBTL1SMN1; SMN2TP53NPC1RAB9A
SCHEMBL18481855 0.95 TP53 (0.52) L3MBTL1SMN1; SMN2TP53NPC1RAB9A
SCHEMBL19480533 0.89 S1PR4 (0.40) L3MBTL1SMN1; SMN2TP53NPC1RAB9A
SCHEMBL700444 0.86 KIF11 (0.48) L3MBTL1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL12957927 0.86 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2TP53NPC1RAB9A
SCHEMBL17725380 0.83 L3MBTL1 (0.50) L3MBTL1SMN1; SMN2TP53NPC1RAB9A
SCHEMBL19558571 0.83 CNR2 (0.48) L3MBTL1SMN1; SMN2TP53NPC1RAB9A
SCHEMBL12928620 0.82 S1PR4 (0.41) SMN1; SMN2TP53NPC1RAB9AMAPT
SCHEMBL17725476 0.81 L3MBTL1 (0.48) L3MBTL1SMN1; SMN2TP53NPC1RAB9A
SCHEMBL17725455 0.81 L3MBTL1 (0.48) L3MBTL1SMN1; SMN2TP53NPC1RAB9A

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-9972791-B2 [2.2]paracyclophane-derived donor/acceptor-type molecules for OLED applications MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-05-15 US disclosed