SCHEMBL9257484

SCHEMBL9257484

N=C(Cc1ccccc1)c1cccc(C(=O)N2CCNCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.60
PARP1 P09874 5/20 0.55
LMNA P02545 2/20 0.54
TSHR P16473 2/20 0.54
MAPK1 P28482 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
USP2 O75604 1/20 0.48
MAPT P10636 1/20 0.48
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46

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
SCHEMBL8358286 0.82 SIGMAR1 (0.76) SIGMAR1LMNATSHRMAPK1L3MBTL1
SCHEMBL20267190 0.79 SIGMAR1 (0.72) SIGMAR1PARP1LMNATSHRMAPK1
SCHEMBL1763270 0.78 SIGMAR1 (0.61) SIGMAR1PARP1LMNATSHRMAPK1
Hydrochloric Acid SCHEMBL30444118 0.78 SIGMAR1 (0.70) SIGMAR1PARP1LMNATSHRMAPK1
SCHEMBL4709504 0.78 SIGMAR1 (0.65) SIGMAR1PARP1LMNATSHRMAPK1
SCHEMBL3584183 0.77 SIGMAR1 (0.69) SIGMAR1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL15986678 0.77 SIGMAR1 (0.59) SIGMAR1PARP1LMNATSHRMAPK1
SCHEMBL28393 0.77 SIGMAR1 (1.00) SIGMAR1TSHRMAPK1USP2CCNC
SCHEMBL894920 0.77 SIGMAR1 (1.00) SIGMAR1TSHRMAPK1USP2CCNC
SCHEMBL11085975 0.76 ALDH1A1 (0.74) SIGMAR1PARP1LMNAMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5405843-A Anticancer drug potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-04-11 US disclosed
EP-0363212-B1 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS (JP) 1995-01-04 EP disclosed
US-5204348-A Quinoline derivatives MITSUI TOATSU CHEMICALS INC. (JP) 1993-04-20 US disclosed
US-5112817-A Anticancer Drug Potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-12 US disclosed
EP-0363212-A2 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-11 EP disclosed