SCHEMBL18533609

SCHEMBL18533609

CO[N+]#Cc1c(C)cc(C)c(NCCN2CCNC2=O)c1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
RAB9A P51151 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
SCN9A Q15858 6/20 0.34
HPGDS O60760 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IRAK1 P51617 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
CREBBP Q92793 1/20 0.31
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL18533692 0.87 KMT2A (0.41) KMT2ARAB9AADORA2AADORA1SCN9A
SCHEMBL14947217 0.87 KMT2A (0.39) KMT2ARAB9AADORA2AADORA1SCN9A
SCHEMBL19151228 0.70 KMT2A (0.53) KMT2ARAB9ASCN9AHPGDSALDH1A1
SCHEMBL15806425 0.69 KMT2A (0.52) KMT2ARAB9ASCN9AHPGDSALDH1A1
SCHEMBL17612729 0.67 PDK2 (0.36) KMT2ARAB9ASCN9AHPGDSALDH1A1
SCHEMBL10033207 0.67 BRD4 (0.36) KMT2ARAB9ASCN9AALDH1A1MEN1
SCHEMBL18932729 0.67 BRD4 (0.36) KMT2ARAB9ASCN9AALDH1A1MEN1
SCHEMBL18533579 0.66 KMT2A (0.34) KMT2ARAB9AALDH1A1MEN1SMN1; SMN2
SCHEMBL18344266 0.63 ALK (0.40) KMT2ARAB9ASCN9AMEN1SMN1; SMN2
SCHEMBL30229597 0.63 ALK (0.40) KMT2ARAB9ASCN9AMEN1SMN1; SMN2

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
EP-2931754-B1 HEAVY GOODS VEHICLE TYRE COMPRISING A TREAD BASED ON A MODIFIED POLYISOPRENE, PROCESS FOR PREPARING SAME MICHELIN & CIE (FR) 2017-02-22 EP disclosed