SCHEMBL18533692

SCHEMBL18533692

Cc1cc(C)c(NCCN2CCNC2=O)c(C)c1C#[N+]O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
RAB9A P51151 1/20 0.41
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SCN9A Q15858 3/20 0.34
CREBBP Q92793 1/20 0.33
POLB P06746 1/20 0.33
IRAK1 P51617 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
HPGDS O60760 1/20 0.33
RET P07949 1/20 0.32
KDR P35968 1/20 0.32
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL14947217 0.89 KMT2A (0.39) KMT2ARAB9AADORA2AADORA1ALDH1A1
SCHEMBL18533609 0.87 KMT2A (0.38) KMT2ARAB9AADORA2AADORA1ALDH1A1
SCHEMBL19151228 0.83 KMT2A (0.53) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL17612729 0.78 PDK2 (0.36) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL15806425 0.73 KMT2A (0.52) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL18533579 0.67 KMT2A (0.34) KMT2ARAB9AALDH1A1KDM4EMEN1
SCHEMBL20852059 0.67
SCHEMBL18932729 0.67 BRD4 (0.36) KMT2ARAB9AALDH1A1MEN1SMN1; SMN2
SCHEMBL10033207 0.67 BRD4 (0.36) KMT2ARAB9AALDH1A1MEN1SMN1; SMN2
SCHEMBL6284446 0.63 KMT2A (0.51) KMT2ARAB9AADORA2AADORA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3380340-B1 RUBBER COMPOSITION MICHELIN & CIE (FR) 2021-03-17 EP disclosed
EP-3172242-B1 POLYMER MODIFIED ALONG THE CHAIN AND PROCESS FOR THE SYNTHESIS THEREOF MICHELIN & CIE (FR) 2019-03-27 EP disclosed
WO-2018115747-A1 TYRE FOR A VEHICLE CARRYING HEAVY LOADS, COMPRISING A NEW TREAD COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2018-06-28 WO disclosed
EP-2593437-B1 MOLECULES HAVING COMBINABLE GROUPS ARKEMA FRANCE (FR) 2017-09-06 EP disclosed
WO-2017121950-A1 METHOD FOR MODIFYING A NATURAL RUBBER, AND MODIFIED NATURAL RUBBER COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2017-07-20 WO disclosed
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