SCHEMBL18834589

SCHEMBL18834589

c1ccc2c(c1)nnn2CCCOC1CCCCO1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 6/20 0.48
▸ KDM4C Q9H3R0 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ RAB9A P51151 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ P2RX7 Q99572 1/20 0.41

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
SCHEMBL29832042 0.79 TGFBR1 (0.56) KDM4CALDH1A1RAB9ANPC1MAPT
SCHEMBL6108764 0.78 KDM4C (0.45) KDM4CRAB9ANPC1MEN1KMT2A
SCHEMBL8197550 0.78 SIGMAR1 (0.49) KDM4CALDH1A1RAB9ANPC1MEN1
SCHEMBL5710973 0.75 MEN1 (0.48) KDM4CRAB9ANPC1MEN1KMT2A
SCHEMBL4021549 0.74 MEN1 (0.48) KDM4CMEN1KMT2A
SCHEMBL8195016 0.74 MEN1 (0.46) KDM4CALDH1A1MEN1KMT2A
SCHEMBL14656744 0.73 KDM4C (0.41) KDM4CALDH1A1RAB9ANPC1MEN1
SCHEMBL23703927 0.71 KDM4C (0.51) KDM4CRAB9ANPC1MEN1KMT2A
SCHEMBL9673310 0.70 KDM4C (0.53) KDM4CRAB9ANPC1MEN1KMT2A
SCHEMBL7460409 0.70 MEN1 (0.46) KDM4CRAB9ANPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970303-B9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-09-20 — — EP disclosed
EP-2970303-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-05-10 — — EP disclosed
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