SCHEMBL8551852

SCHEMBL8551852

CCOCCOc1ccnc(-n2c(SC)nc3cc(C)ccc32)c1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 2/20 0.33
▸ RXRA P19793 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ NLRP3 Q96P20 1/20 0.31
▸ PDPK1 O15530 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ MET P08581 1/20 0.30

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
SCHEMBL8547164 0.89 TDP1 (0.38) NCF1RXRAPPARGNR1H3MAPT
SCHEMBL8551375 0.88 KDM4E (0.39) NCF1MEN1POLBKMT2AMAPT
SCHEMBL8550780 0.88 RXRA (0.37) NCF1RXRAPPARGNR1H3POLB
SCHEMBL8553294 0.77 S1PR4 (0.33) —
SCHEMBL8672349 0.77 TLR8 (0.39) MEN1KMT2ALMNASMN1; SMN2MET
SCHEMBL8551858 0.76 NCF1 (0.34) NCF1RXRAPPARGNR1H3MEN1
SCHEMBL8667811 0.75 CACNA1D (0.36) MEN1KMT2AKDM4E
SCHEMBL8550147 0.75 — —
SCHEMBL8668966 0.75 SMN1; SMN2 (0.38) CYP2C9KMT2AMAPTLMNAKDM4E
SCHEMBL8672721 0.74 PTGS2 (0.40) MEN1POLBKMT2AMAPTLMNA

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-5708013-A BENZIMIDAZOLESULFOXIDE DERIVATIVES EISAI CO., LTD. (JP) 1998-01-13 — — US disclosed
Send feedback