SCHEMBL19634422

SCHEMBL19634422

NCc1ccc(C(=O)N2CCN(CC(=O)O)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KCNH2 Q12809 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
GPR183 P32249 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL19634707 0.86 MEN1 (0.60) MEN1KMT2AKDM4EALDH1A1KCNH2
SCHEMBL19634410 0.83 DRD2 (0.50) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL3074396 0.82 MEN1 (0.68) MEN1KMT2AKDM4EALDH1A1KCNH2
SCHEMBL19634400 0.82 ALDH1A1 (0.62) MEN1KMT2AALDH1A1KCNH2GPR183
SCHEMBL10826271 0.81 POLB (0.61) MEN1KMT2AKDM4EALDH1A1CA12
SCHEMBL18765947 0.80 HPGD (0.62) MEN1KMT2AKDM4EALDH1A1CA12
SCHEMBL25710940 0.80 HPGD (0.68) MEN1KMT2AKDM4EALDH1A1CA12
SCHEMBL2377726 0.80 HRH3 (0.64) MEN1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL23471231 0.79 KMT2A (0.54) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL507164 0.79 HPGD (0.71) MEN1KMT2AALDH1A1CA12CA1

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
WO-2017200984-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2017-11-23 WO disclosed