SCHEMBL9632467

SCHEMBL9632467

CC(N)(N)C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 0.54
SRC P12931 1/20 0.48
TSHR P16473 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
MAPT P10636 3/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP2C19 P33261 2/20 0.48
POLB P06746 2/20 0.48
CYP3A4 P08684 2/20 0.48
PARP1 P09874 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CES2 O00748 4/20 0.46
ALDH1A1 P00352 2/20 0.46
DAO P14920 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
KMT2A Q03164 2/20 0.45
CA12 O43570 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
SCHEMBL3134419 0.86 CES1 (0.60) CES1SRCTSHRTDP1MAPT
SCHEMBL27638715 0.82 CES1 (0.50) CES1SRCTSHRTDP1MAPT
SCHEMBL8506425 0.82 CES1 (0.50) CES1SRCTSHRTDP1MAPT
SCHEMBL10887738 0.80 CES1 (0.53) CES1SRCTSHRTDP1MAPT
SCHEMBL4618681 0.80 CES1 (0.58) CES1SRCTSHRTDP1MAPT
SCHEMBL21109870 0.80 CES1 (0.58) CES1SRCTSHRTDP1MAPT
SCHEMBL669434 0.80 CES1 (0.58) CES1SRCTSHRTDP1MAPT
SCHEMBL226691 0.80 CES1 (0.58) CES1SRCTSHRTDP1MAPT
SCHEMBL10493250 0.79 CYP1A2 (0.48) CES1SRCTSHRTDP1MAPT
SCHEMBL9076470 0.79 CES1 (0.47) CES1SRCTSHRTDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0368903-B1 ALTERNATING ALIPHATIC-AROMATIC POLY(ESTERAMIDE) AlliedSignal Inc. (US) 1992-08-26 EP disclosed
EP-0368903-A1 ALTERNATING ALIPHATIC-AROMATIC POLY(ESTERAMIDE). ALLIED SIGNAL INC (US) 1990-05-23 EP disclosed
EP-0325247-A1 Camptothecin derivatives and process for preparing same KABUSHIKI KAISHA YAKULT HONSHA (JP) 1989-07-26 EP disclosed
WO-1989000171-A1 ALTERNATING ALIPHATIC-AROMATIC POLY(ESTERAMIDE) ALLIED-SIGNAL INC. (US) 1989-01-12 WO disclosed
US-4767839-A LIQUID CRYSTAL-FROM A DIACID AND DIESTERDIAMINE ALLIED-SIGNAL INC. (US) 1988-08-30 US disclosed