SCHEMBL10550485

SCHEMBL10550485

Cc1ccc(Cn2c(CC3CCN(CCNC(=S)Nc4cnccc4N)CC3)nc3cccnc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
TP53 P04637 6/20 0.41
ENPP2 Q13822 1/20 0.40
THRB P10828 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 3/20 0.39
SLC6A9 P48067 1/20 0.38
POLB P06746 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL10550927 0.93 SLC6A9 (0.46) LMNATP53ENPP2THRBMAPT
SCHEMBL10548481 0.90 MAPT (0.39) LMNATP53MAPT
SCHEMBL10551752 0.89 SLC6A9 (0.39) LMNATP53ENPP2MAPTSLC6A9
SCHEMBL10549336 0.87 SLC6A9 (0.39) LMNATP53ENPP2TDP1MAPT
SCHEMBL10548020 0.87 SLC6A9 (0.53) LMNATP53ENPP2MAPTSLC6A9
SCHEMBL10382807 0.86 SLC6A9 (0.41) LMNATP53SLC6A9
SCHEMBL9537203 0.85 TP53 (0.47) LMNATP53ENPP2THRBTDP1
SCHEMBL10547517 0.84 SLC6A2 (0.40) LMNATDP1
SCHEMBL10548825 0.83 KCNH2 (0.42) LMNATP53MAPT
SCHEMBL1152449 0.80 KCNH2 (0.46) LMNATP53ENPP2THRBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4839374-A TREATING ALLERGIES JANSSEN PHARMACEUTICA, N.V. (BE) 1989-06-13 US disclosed
US-4695575-A ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1987-09-22 US disclosed
EP-0151826-A1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 EP disclosed