SCHEMBL9725356

SCHEMBL9725356

CN(C)CCn1c(=O)[nH]c2cc(Br)c(Br)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.43
LMNA P02545 3/20 0.42
CYP1A2 P05177 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
NFKB1 P19838 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
MPO P05164 4/20 0.41
HAVCR2 Q8TDQ0 1/20 0.39
RAB9A P51151 1/20 0.37
DAO P14920 1/20 0.37
NR3C1 P04150 1/20 0.34
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 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
Hydrochloric Acid SCHEMBL9725475 0.98 CCR4 (0.42) CCR4LMNACYP1A2MEN1KMT2A
SCHEMBL9725424 0.86 CCR4 (0.50) CCR4LMNACYP1A2MEN1KMT2A
Hydrochloric Acid SCHEMBL9725372 0.85 CCR4 (0.49) CCR4LMNACYP1A2MEN1KMT2A
SCHEMBL9725430 0.82 MPO (0.45) CCR4CYP1A2MEN1KMT2ASMN1; SMN2
SCHEMBL9725470 0.82 MPO (0.45) CCR4LMNACYP1A2MEN1KMT2A
Hydrochloric Acid SCHEMBL9725529 0.81 MPO (0.44) CCR4CYP1A2MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL9725446 0.81 MPO (0.44) CCR4LMNACYP1A2MEN1KMT2A
SCHEMBL9725374 0.79 DAO (0.36) CCR4CYP1A2SMN1; SMN2MPOHAVCR2
SCHEMBL9725479 0.79 CCR4 (0.56) CCR4LMNACYP1A2MEN1KMT2A
SCHEMBL7063351 0.79 CYP1A2 (0.65) LMNACYP1A2MEN1KMT2ATSHR

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-5162318-A Which have pulmonary surfactant secretion promoting activity YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-11-10 US disclosed
EP-0454330-A1 Benzimidazolinone derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-10-30 EP disclosed