SCHEMBL25898628

SCHEMBL25898628

CC1C(NC(N)=O)CS[C@@H]1CCCCC(=O)N[C@@H](CC[SH](C)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.48
HINT1 P49773 1/20 0.47
PRKACA P17612 4/20 0.46
PLA2G2A P14555 1/20 0.45
DOT1L Q8TEK3 3/20 0.45
NSD2 O96028 3/20 0.45
SETD7 Q8WTS6 3/20 0.45
PCMT1 P22061 2/20 0.45
EHMT1 Q9H9B1 2/20 0.45
EHMT2 Q96KQ7 2/20 0.45
CARM1 Q86X55 2/20 0.45
PRMT1 Q99873 2/20 0.45
SETD2 Q9BYW2 2/20 0.45
TRDMT1 O14717 1/20 0.45
PRMT5 O14744 1/20 0.45
RNMT O43148 1/20 0.45
INMT O95050 1/20 0.45
TPMT P51580 1/20 0.45
METTL3 Q86U44 1/20 0.45
NSD1 Q96L73 1/20 0.45

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
SCHEMBL25546235 0.82 FASN (0.54) NNMTPRKACAPLA2G2ADOT1LNSD2
SCHEMBL25898613 0.81 HINT1 (0.62) HINT1PRKACA
Hydrochloric Acid SCHEMBL28886653 0.74 NNMT (0.71) NNMTDOT1LNSD2SETD7PCMT1
SCHEMBL18119946 0.72 HINT1 (0.68) NNMTHINT1DOT1LNSD2SETD7
SCHEMBL19585141 0.72 NNMT (0.62) NNMTDOT1LNSD2SETD7PCMT1
SCHEMBL28801312 0.72 NNMT (0.62) NNMTDOT1LNSD2SETD7PCMT1
Hydrochloric Acid SCHEMBL19585383 0.71 NNMT (0.61) NNMTDOT1LNSD2SETD7PCMT1
SCHEMBL30572915 0.70 DOT1L (0.66) DOT1LEHMT1
SCHEMBL21553885 0.70 HINT1 (0.64) NNMTHINT1DOT1LNSD2SETD7
SCHEMBL21528355 0.69 HINT1 (0.63) NNMTHINT1DOT1LNSD2SETD7

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-4219518-A2 BIOCONJUGATES OF HETEROCYCLIC COMPOUNDS Taizhou Huifeng Hetai Biotechnology Co. Ltd (CN) 2023-08-02 EP disclosed