SCHEMBL19092139

SCHEMBL19092139

Cc1ccc(S(=O)(=O)N2CCC(N(C)C)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
HTT P42858 2/20 0.62
ALDH1A1 P00352 4/20 0.60
PKM P14618 3/20 0.60
KDM4E B2RXH2 1/20 0.60
POLB P06746 1/20 0.60
USP5 P45974 1/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
LMNA P02545 3/20 0.55
EBP Q15125 1/20 0.55
DHCR7 Q9UBM7 1/20 0.55
TRPV4 Q9HBA0 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GAA P10253 1/20 0.54

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
SCHEMBL21510346 0.88 KMT2A (0.59) KMT2AMEN1HTTALDH1A1PKM
SCHEMBL20598412 0.86 USP5 (0.56) KMT2AMEN1HTTALDH1A1KDM4E
SCHEMBL13844995 0.86 USP5 (0.56) KMT2AMEN1HTTALDH1A1PKM
SCHEMBL6787299 0.84 KMT2A (0.62) KMT2AMEN1HTTALDH1A1PKM
SCHEMBL23884723 0.83 USP5 (0.54) KMT2AMEN1HTTALDH1A1KDM4E
SCHEMBL20884976 0.83 MCOLN3 (0.71) KMT2AMEN1ALDH1A1POLBUSP5
SCHEMBL16627296 0.82 HSD11B1 (0.62) KMT2AMEN1PKMUSP5TRPV4
SCHEMBL28882522 0.81 ALDH1A1 (0.66) KMT2AMEN1HTTALDH1A1PKM
SCHEMBL266466 0.81 MEN1 (0.77) KMT2AMEN1HTTALDH1A1PKM
SCHEMBL20883811 0.81 MCOLN3 (0.56) KMT2AMEN1HTTALDH1A1POLB

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
WO-2020210377-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF NUVATION BIO INC. (US) 2020-10-15 WO disclosed
WO-2017114497-A1 IMMUNE EFFECTOR CELL THERAPIES WITH ENHANCED EFFICACY NOVARTIS AG (CH) 2017-07-06 WO disclosed