SCHEMBL9684758

SCHEMBL9684758

CCCCCCCCCCCCCCCCCCNCCN1CCCC1=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
RAB9A P51151 3/20 0.42
ALOX5 P09917 2/20 0.42
TSHR P16473 2/20 0.42
PIK3CD O00329 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 2/20 0.40
GAA P10253 1/20 0.40
DRD4 P21917 1/20 0.40
PGK1 P00558 1/20 0.39

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
SCHEMBL4416421 1.00 KMT2A (0.50) KMT2ARAB9AALOX5TSHRPIK3CD
SCHEMBL24999556 0.94 RAB9A (0.48) KMT2ARAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL9685143 0.94 RAB9A (0.48) KMT2ARAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL9654499 0.88 KMT2A (0.47) KMT2ARAB9AALOX5TSHRSMN1; SMN2
SCHEMBL22762568 0.87 KMT2A (0.55) KMT2ARAB9ATSHRPIK3CDSMN1; SMN2
SCHEMBL9684772 0.86 PIK3CD (0.42) KMT2ARAB9AALOX5TSHRPIK3CD
SCHEMBL9683080 0.86 PIK3CD (0.42) KMT2ARAB9AALOX5TSHRPIK3CD
Hydrochloric Acid SCHEMBL10380721 0.85 KMT2A (0.53) KMT2ARAB9ATSHRPIK3CDSMN1; SMN2
SCHEMBL4396522 0.85 KMT2A (0.59) KMT2ATSHRPIK3CD
SCHEMBL12847181 0.84 RAB9A (0.50) KMT2ARAB9ASMN1; SMN2ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5156837-A Hair and skin softeners compatible with anionic surfactants ISP INVESTMENTS INC. (US) 1992-10-20 US disclosed
US-5011941-A Reacting N-haloalkyl lactam with oxylated tertiary amine GAF CHEMICALS CORPORATION (US) 1991-04-30 US disclosed
US-5008104-A Emulsifying, dye leveling, antistatic and fabric softening properties GAF CHEMICALS CORPORATION (US) 1991-04-16 US disclosed
WO-1990015797-A2 QUATERNIZED NITROGEN CONTAINING COMPOUNDS GAF CHEMICALS CORPORATION (US) 1990-12-27 WO disclosed