SCHEMBL23838593

SCHEMBL23838593

C=C(C)c1ccc2nc(CS)c(CS)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 7/20 0.38
MAPT P10636 5/20 0.38
HPGD P15428 4/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL24541019 0.76 NPC1 (0.50) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL16730658 0.74 MAPT (0.49) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL16646641 0.72 ALDH1A1 (0.47) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL24584905 0.72 NPC1 (0.50) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL24584368 0.72 NQO2 (0.57) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL18945680 0.70 TDP1 (0.38) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL16660774 0.70 KMT2A (0.48) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL20048900 0.68 LRRK2 (0.37) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL14607882 0.67 ENPP2 (0.50) NPC1RAB9ATDP1ALDH1A1MAPT
SCHEMBL9823025 0.67 NPC1 (0.75) NPC1RAB9AMEN1KMT2ATDP1

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
EP-3057610-B1 DRUG-CONJUGATES WITH A TARGETING MOLECULE AND TWO DIFFERENT DRUGS SORRENTO THERAPEUTICS INC (US) 2021-09-22 EP disclosed