SCHEMBL10109506

SCHEMBL10109506

Cc1ccc(N(C)c2ccc(-c3ccc(C4CCCCC4)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
ATM Q13315 1/20 0.46
SLC18A3 Q16572 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NOTUM Q6P988 2/20 0.40
HSP90AA1 P07900 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
PSMB5 P28074 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL20210022 0.95 LMNA (0.49) MAPTLMNASMN1; SMN2ALDH1A1TP53
SCHEMBL20800870 0.93 ALDH1A1 (0.46) MAPTLMNASMN1; SMN2ALDH1A1TP53
SCHEMBL13289031 0.91 SLC18A3 (0.44) MAPTLMNASMN1; SMN2ALDH1A1SLC18A3
SCHEMBL12619661 0.88 MAPT (0.47) MAPTLMNASMN1; SMN2ALDH1A1TP53
SCHEMBL13241983 0.88 MAPT (0.47) MAPTLMNASMN1; SMN2ALDH1A1TP53
SCHEMBL20210323 0.88 SLC18A3 (0.46) MAPTLMNASMN1; SMN2ALDH1A1TP53
SCHEMBL18117721 0.88 MAPT (0.54) MAPTLMNASMN1; SMN2ALDH1A1TP53
SCHEMBL20210328 0.87 NPC1 (0.46) MAPTSLC18A3NPC1RAB9ANOTUM
SCHEMBL15165382 0.83 S1PR1 (0.38) MAPTLMNASMN1; SMN2ALDH1A1TP53
SCHEMBL558840 0.82 ALDH1A1 (0.50) MAPTLMNASMN1; SMN2ALDH1A1TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120074395-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-03-29 US disclosed
US-20120074395-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-03-29 US disclosed