SCHEMBL28321950

SCHEMBL28321950

S=CC1NN=C(c2ccc(Cl)cc2)N1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ MECP2 P51608 1/20 0.34
▸ MBD2 Q9UBB5 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ RPA1 P27694 1/20 0.30
▸ METAP2 P50579 1/20 0.30
▸ NOTUM Q6P988 1/20 0.30
▸ GCGR P47871 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
SCHEMBL28003002 0.67 CYP1A2 (0.30) KDM4E
SCHEMBL3429872 0.66 MEN1 (0.38) LMNAKDM4EMAPTPOLB
SCHEMBL28944028 0.61 — —
SCHEMBL9465376 0.61 ALDH1A1 (0.43) LMNARECQLMAPTPOLB
SCHEMBL27526219 0.61 — —
SCHEMBL11813821 0.61 LMNA (0.37) LMNARECQLKDM4EPOLBPTPN11
Hydrochloric Acid SCHEMBL10445424 0.59 P2RX7 (0.62) LMNARECQL
Hydrochloric Acid SCHEMBL10445425 0.59 P2RX7 (0.62) LMNARECQL
Hydrochloric Acid SCHEMBL10445426 0.59 P2RX7 (0.62) LMNARECQL
SCHEMBL18977333 0.57 P2RX7 (0.43) MECP2MBD2KDM4EMAPT

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
CN-110313401-A A method of promoting bud differentiation in enterprise's sword chalk Chinese cymbidium tissue culture procedures 华南农业大学 2019-10-11 — — CN disclosed
Send feedback