SCHEMBL11535600

SCHEMBL11535600

Cc1nnsc1C(=O)NC1CCCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
TAS1R3 Q7RTX0 6/20 0.49
TAS1R1 Q7RTX1 5/20 0.49
TAS1R2 Q8TE23 5/20 0.49
CHRM4 P08173 1/20 0.47
MLLT1 Q03111 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL11536712 1.00 LMNA (0.52) LMNATAS1R3TAS1R1TAS1R2CHRM4
SCHEMBL11538814 1.00 LMNA (0.52) LMNATAS1R3TAS1R1TAS1R2CHRM4
SCHEMBL11537335 0.98 LMNA (0.50) LMNATAS1R3TAS1R1TAS1R2CHRM4
SCHEMBL11538275 0.92 LMNA (0.50) LMNACHRM4NPC1RAB9AALDH1A1
SCHEMBL11538234 0.86 NPC1 (0.52) LMNATAS1R3TAS1R1TAS1R2NPC1
SCHEMBL11535873 0.84 KMT2A (0.44) LMNANPC1RAB9AALDH1A1MEN1
SCHEMBL11537657 0.81 TAS1R3 (0.51) LMNATAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL11535293 0.79 NPC1 (0.48) LMNATAS1R3TAS1R1TAS1R2MLLT1
SCHEMBL10825856 0.78 CHRM4 (0.49) LMNACHRM4NPC1RAB9AHPGD
SCHEMBL11263887 0.76 LMNA (0.42) LMNANPC1RAB9AALDH1A1MEN1

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-4177054-A PREEMERGENT AND POSTEMERGENT SCHERING AKTIENGESELLSCHAFT (DE) 1979-12-04 US claimed
US-4177054-A PREEMERGENT AND POSTEMERGENT SCHERING AKTIENGESELLSCHAFT (DE) 1979-12-04 US disclosed