SCHEMBL11311778

SCHEMBL11311778

COc1cc(NC(=S)Cc2ccccc2)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ ALDH1A1 P00352 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ RAB9A P51151 4/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ IMPDH2 P12268 1/20 0.42
▸ AAK1 Q2M2I8 1/20 0.42
▸ ADORA2A P29274 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ FPR2 P25090 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ TP53 P04637 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
SCHEMBL11315258 0.89 RAB9A (0.53) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL11308885 0.84 MEN1 (0.74) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL11309845 0.81 MEN1 (0.46) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL11306216 0.79 ALDH1A1 (0.47) MEN1KMT2AALDH1A1MAPTALOX12
SCHEMBL11309066 0.78 POLB (0.53) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL27943694 0.76 MGLL (0.56) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL14243556 0.76 HDAC1 (0.53) ALDH1A1MAPT
SCHEMBL11591403 0.74 KMT2A (0.56) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL11313559 0.74 MAPT (0.53) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL5473499 0.73 KCNK9 (0.60) MEN1KMT2AALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4263205-A FOR COLORING POLYMERS, LACQUERS CIBA-GEIGY CORPORATION (US) 1981-04-21 — — US disclosed
EP-0006154-A1 Monoazo pigments and their use in colouring high molecular-weight organic material CIBA-GEIGY AG (CH) 1980-01-09 — — EP disclosed
US-4062838-A LACQUERS, PRINTING INKS, YELLOW TO ORANGE CIBA-GEIGY CORPORATION (US) 1977-12-13 — — US disclosed
Send feedback