SCHEMBL9863451

SCHEMBL9863451

CCCCN(CCCC)c1nc(NCC)nc(SSc2nc(NCC)nc(N(CCCC)CCCC)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.41
CRHR1 P34998 1/20 0.41
MAPT P10636 6/20 0.37
LMNA P02545 4/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 3/20 0.36
SLC29A1 Q99808 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CREBBP Q92793 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.34
KMT2A Q03164 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
SCHEMBL9337229 0.94 CRHR1 (0.39) L3MBTL1CYP1A2GAACYP2C19CRHR1
SCHEMBL9334250 0.84 L3MBTL1 (0.41) L3MBTL1CYP1A2GAACYP2C19CRHR1
SCHEMBL9015787 0.83 L3MBTL1 (0.46) L3MBTL1CYP1A2GAACYP2C19MAPT
SCHEMBL9015890 0.79 LMNA (0.56) L3MBTL1CYP1A2GAACYP2C19CRHR1
SCHEMBL9333911 0.79 CYP1A2 (0.42) L3MBTL1CYP1A2GAACYP2C19CRHR1
SCHEMBL9333906 0.78 SLC29A1 (0.43) CRHR1MAPTLMNASMN1; SMN2SLC29A1
SCHEMBL9244239 0.78 L3MBTL1 (0.43) L3MBTL1CYP1A2GAACYP2C19MAPT
SCHEMBL11328750 0.78 L3MBTL1 (0.43) L3MBTL1CYP1A2GAACYP2C19MAPT
SCHEMBL9863554 0.76 L3MBTL1 (0.44) L3MBTL1CYP1A2GAACYP2C19MAPT
SCHEMBL6720244 0.75 SLC29A1 (0.51) CRHR1MAPTSMN1; SMN2SLC29A1KMT2A

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-5037872-A Substituted N-trichloromethyl thiodicarboximides and N,N-substituted bis-(2,4-diamino-s-triazin-6-yl)-oligosulfides in vulcanizable rubber FEDERAL REPUBLIC OF GERMANY (DE) 1991-08-06 US disclosed
EP-0240711-A2 Use of substituted N-trichloromethylthiodicarboximides in combination with N,N'-substituted bis-(2,4-diamino-s-triazin-6-yl)-oligosulfides in vulcanizable rubber compositions, and such rubber compositions Degussa Aktiengesellschaft (DE) 1987-10-14 EP disclosed