SCHEMBL11338554

SCHEMBL11338554

ClCc1nnc(Cc2ccccc2)o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
HPGD P15428 4/20 0.59
NPC1 O15118 3/20 0.59
TSHR P16473 3/20 0.59
GPR55 Q9Y2T6 1/20 0.59
ALDH1A1 P00352 3/20 0.56
LMNA P02545 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
EGFR P00533 2/20 0.51
ERBB2 P04626 1/20 0.51
PTK2 Q05397 1/20 0.51
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ELANE P08246 1/20 0.46
TTR P02766 1/20 0.43
MAPK1 P28482 1/20 0.43
CALM1 P0DP23 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL27998064 0.89 RAB9A (0.70) RAB9ASMN1; SMN2HPGDNPC1TSHR
SCHEMBL30578691 0.82 NPC1 (0.55) HPGDNPC1TSHRALDH1A1LMNA
SCHEMBL836621 0.82 RAB9A (0.53) RAB9ASMN1; SMN2HPGDNPC1TSHR
SCHEMBL13509510 0.80 RAB9A (0.59) RAB9ASMN1; SMN2HPGDNPC1TSHR
SCHEMBL3826139 0.80 RAB9A (0.59) RAB9ASMN1; SMN2HPGDNPC1TSHR
SCHEMBL25416435 0.80 RAB9A (0.59) RAB9ASMN1; SMN2HPGDNPC1TSHR
SCHEMBL16509671 0.80 RAB9A (0.59) RAB9ASMN1; SMN2HPGDNPC1TSHR
SCHEMBL11835354 0.76 RAB9A (0.59) RAB9ASMN1; SMN2HPGDNPC1TSHR
SCHEMBL12597232 0.76 RAB9A (0.60) RAB9ASMN1; SMN2HPGDNPC1TSHR
SCHEMBL5915148 0.76 RAB9A (0.59) RAB9ASMN1; SMN2HPGDNPC1TSHR

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-4267338-A INTERMEDIATES IN THE PRODUCTION OF N-AZOLYLALKYL-HALOGENOACETANILIDE HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-05-12 US disclosed
EP-0003539-B1 N-AZOLYLALKYL-HALOGENOACETANILIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AG (DE) 1981-04-08 EP disclosed
EP-0003540-B1 N-AZOLYLALKYL ANILINES AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1980-10-01 EP disclosed