SCHEMBL24701316

SCHEMBL24701316

C=C1NC(=N)c2c(Oc3ccc(C(C)(C)C)cc3)cccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAOA P21397 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ ADAMTS5 Q9UNA0 2/20 0.33
▸ DDB1 Q16531 2/20 0.32
▸ CRBN Q96SW2 2/20 0.32
▸ FGFR2 P21802 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ STK10 O94804 1/20 0.31
▸ SLK Q9H2G2 1/20 0.31
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ LMNA P02545 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
SCHEMBL8918799 0.88 MAPT (0.39) RAB9AMAPTNPC1HPGDALDH1A1
SCHEMBL24701314 0.74 LMNA (0.43) ALDH1A1MAPK1LMNA
SCHEMBL24701312 0.73 ALDH1A1 (0.38) RAB9AMAPTNPC1HPGDALDH1A1
SCHEMBL10760113 0.71 ALDH1A1 (0.56) RAB9AMAPTNPC1HPGDALDH1A1
SCHEMBL19927865 0.70 ALDH1A1 (0.44) RAB9AMAPTNPC1HPGDALDH1A1
SCHEMBL7817075 0.69 LMNA (0.40) MAPTMAPK1GAANPSR1POLB
SCHEMBL26256982 0.67 MAPT (0.50) RAB9AMAPTNPC1HPGDALDH1A1
SCHEMBL11580870 0.67 ADORA2A (0.47) RAB9AMAPTNPC1HPGDALDH1A1
SCHEMBL9550305 0.66 KCNA5 (0.40) HPGDALDH1A1KDM4EGAAMAOA
SCHEMBL3227993 0.64 HPGD (0.47) RAB9AMAPTNPC1HPGDALDH1A1

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-20220386724-A1 ANTIMICROBIAL DYES FOR HEALTHCARE APPAREL BMG (BRITISH MEDICAL GROUP) LIMITED (GB) 2022-12-08 — — US disclosed
Send feedback