SCHEMBL8545476

SCHEMBL8545476

O=C(c1cccn1N1C(=O)c2ccccc2C1=O)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.40
POLB P06746 2/20 0.40
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 3/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CASP3 P42574 1/20 0.35
CES1 P23141 2/20 0.35
PDK2 Q15119 1/20 0.35
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
MC4R P32245 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL8305666 0.78 POLB (0.48) POLBKMT2AALDH1A1CASP3CES1
SCHEMBL8545658 0.78 POLB (0.44) POLBKMT2ACASP3CES1
SCHEMBL8543267 0.77 CES1 (0.42) POLBCYP2C19KMT2AALDH1A1MAPT
SCHEMBL8446968 0.75 ALDH1A1 (0.47) POLBCYP2C19KMT2AALDH1A1MAPT
SCHEMBL10365839 0.75 CNR2 (0.44) POLBKMT2AALDH1A1MAPTLMNA
SCHEMBL8539713 0.74 POLB (0.41) POLBKMT2ACASP3CES1
SCHEMBL1966590 0.74 POLB (0.45) POLBKMT2ATSHRALDH1A1MAPT
SCHEMBL8303714 0.74 LMNA (0.43) POLBKMT2AALDH1A1LMNANPC1
SCHEMBL8540702 0.74 KEAP1 (0.42) POLBKMT2AALDH1A1MAPTLMNA
SCHEMBL10365415 0.71 POLB (0.42) POLBKMT2ATSHRALDH1A1MAPT

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
EP-0648764-B1 N-(substituted amino)pyrrole derivatives, preparation process thereof, and herbicidal compositions KUREHA CHEMICAL IND CO LTD (JP) 1998-12-16 EP disclosed
US-5612287-A N-(substituted amino) pyrrole derivatives preparation process thereof, and herbicidal compositions KUREHA KAGAKU KOGYO K.K. (JP) 1997-03-18 US disclosed
US-5604178-A N-(substituted amino)pyrrole derivatives, and herbicidal compositions KUREHA KAGAKU KOGYO K.K. (JP) 1997-02-18 US disclosed
EP-0648764-A1 N-(substituted amino)pyrrole derivatives, preparation process thereof, and herbicidal compositions KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1995-04-19 EP disclosed