SCHEMBL11270173

SCHEMBL11270173

NCC(=O)N(c1nc2cc3nc(N(C(=O)CN)C4CCCCCC4)sc3cc2s1)C1CCCCCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ MAPT P10636 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ NPC1 O15118 5/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ GFER P55789 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ BACE1 P56817 2/20 0.34
▸ OPRM1 P35372 2/20 0.34
▸ OPRD1 P41143 2/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL11253467 1.00 KMT2A (0.39) KMT2AMEN1TRPM8MAPTTP53
SCHEMBL11256894 0.99 KMT2A (0.37) KMT2AMEN1TRPM8MAPTTP53
SCHEMBL11265250 0.93 CA12 (0.37) KMT2AMEN1MAPTTP53NPC1
SCHEMBL11268012 0.88 CA12 (0.36) KMT2AMEN1MAPTTP53NPC1
SCHEMBL11271015 0.72 HTR2C (0.40) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL11270915 0.72 HTR2C (0.40) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL11255745 0.71 HTR2C (0.41) KMT2AMEN1NPC1RAB9ALMNA
Hydrochloric Acid SCHEMBL11273062 0.71 RAD52 (0.41) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL11255499 0.70 HDAC6 (0.37) KMT2AMEN1MAPTTP53NPC1
SCHEMBL11255635 0.70 HTR2C (0.41) KMT2AMEN1MAPTNPC1RAB9A

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
US-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 — — US disclosed
Send feedback