SCHEMBL19400208

SCHEMBL19400208

O=C(C=Cc1ccc2c(c1)OCO2)N1CCN(Cc2ccc(F)cc2C(F)(F)F)CC1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPR183 P32249 2/20 0.73
▸ KDM4E B2RXH2 6/20 0.62
▸ ALDH1A1 P00352 6/20 0.62
▸ MEN1 O00255 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ MAOB P27338 3/20 0.57
▸ HPGD P15428 3/20 0.57
▸ NPC1 O15118 3/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ TRPV1 Q8NER1 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ POLB P06746 2/20 0.49

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
SCHEMBL16599076 0.84 GPR183 (1.00) GPR183
SCHEMBL16599072 0.84 GPR183 (1.00) GPR183
SCHEMBL19400203 0.84 ALDH1A1 (0.69) GPR183KDM4EALDH1A1MEN1KMT2A
SCHEMBL19400207 0.82 ALDH1A1 (0.66) GPR183KDM4EALDH1A1MEN1KMT2A
SCHEMBL19400202 0.77 MEN1 (0.73) GPR183KDM4EALDH1A1MEN1KMT2A
SCHEMBL16598975 0.77 MAOB (0.68) KDM4EALDH1A1MEN1KMT2AMAOB
SCHEMBL19400200 0.76 ALDH1A1 (0.69) GPR183KDM4EALDH1A1MEN1KMT2A
SCHEMBL3115705 0.74 MAOB (1.00) KDM4EALDH1A1MEN1KMT2AMAOB
SCHEMBL3115704 0.74 MAOB (1.00) KDM4EALDH1A1MEN1KMT2AMAOB
SCHEMBL16598544 0.74 GPR183 (1.00) GPR183MEN1KMT2A

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-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 — — US claimed
Send feedback