SCHEMBL24386176

SCHEMBL24386176

CNCCCc1ccc(C(=O)NCCCN)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESRRG P62508 2/20 0.57
▸ NPC1 O15118 3/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ MLYCD O95822 2/20 0.50
▸ HSP90AA1 P07900 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ PLK1 P53350 1/20 0.49
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ MCHR1 Q99705 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ TMEM97 Q5BJF2 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
SCHEMBL5254721 0.85 NPC1 (0.55) ESRRGNPC1RAB9ASMN1; SMN2MLYCD
SCHEMBL5254724 0.85 NPC1 (0.55) ESRRGNPC1RAB9ASMN1; SMN2MLYCD
SCHEMBL26553937 0.84 L3MBTL1 (0.60) MLYCDPLK1CA2TMEM97SIGMAR1
Hydrochloric Acid SCHEMBL25401659 0.83 L3MBTL1 (0.58) MLYCDPLK1CA2TMEM97SIGMAR1
SCHEMBL14159023 0.82 CYP1A2 (0.63) NPC1RAB9AALDH1A1CYP1A2TSHR
SCHEMBL11981560 0.81 HDAC3 (0.57) ESRRGNPC1RAB9APOLBPLK1
SCHEMBL20031964 0.81 HDAC3 (0.59) ESRRGNPC1RAB9ACA12CA1
SCHEMBL11299293 0.81 PLK1 (0.72) ESRRGNPC1RAB9ASMN1; SMN2PLK1
SCHEMBL13165401 0.81 ALDH1A1 (0.63) NPC1RAB9AMLYCDPOLBALDH1A1
SCHEMBL13589447 0.79 L3MBTL1 (0.56) ESRRGNPC1RAB9ASMN1; SMN2MLYCD

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-3991792-A1 TRANSPLANTATION DEVICE USING CHEMICALLY CROSSLINKED ALGINIC ACID Mochida Pharmaceutical Co., Ltd. (JP) 2022-05-04 — — EP disclosed
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