SCHEMBL8946541

SCHEMBL8946541

O=C(O)c1ccc(C2CCCCC2)nc1-c1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.45
DHODH Q02127 3/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
BRS3 P32247 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 1/20 0.38
CAMKK1 Q8N5S9 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38
ALPL P05186 1/20 0.37

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
SCHEMBL10634867 0.82 DHODH (0.48) DHODHKMT2AALDH1A1POLBLMNA
SCHEMBL10634946 0.82 DHODH (0.48) DHODHKMT2AALDH1A1POLBLMNA
Hydrochloric Acid SCHEMBL10630475 0.81 DHODH (0.47) DHODHALDH1A1POLBCAMKK1CAMKK2
SCHEMBL8946636 0.78 ALDH1A1 (0.54) DHODHKMT2AALDH1A1POLBLMNA
SCHEMBL30408412 0.76 CAMKK2 (0.44) DHODHKMT2APOLBLMNAHTT
SCHEMBL8946514 0.74 KMT2A (0.54) CNR1DHODHKMT2AALDH1A1LMNA
SCHEMBL8823085 0.73 BTK (0.48) CNR1KMT2AALDH1A1POLBLMNA
SCHEMBL27429743 0.72 LMNA (0.37) CNR1KMT2AALDH1A1POLBLMNA
SCHEMBL8946733 0.71 LPAR1 (0.46) CNR1
SCHEMBL8946489 0.71 PYGL (0.46) CNR1KMT2ANPC1RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5500424-A ENZYME INHIBITORS NIHON NOHYAKU CO., LTD. (JP) 1996-03-19 US disclosed
EP-0638557-A1 N-phenylpyri(mi)dine-N'-phenyl-urea derivatives, their preparation and their use as ACAT inhibitors NIHON NOHYAKU CO., LTD. (JP) 1995-02-15 EP disclosed