SCHEMBL25797243

SCHEMBL25797243

Nc1cc(NC(=O)CCl)cc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
ACP1 P24666 2/20 0.51
NNMT P40261 1/20 0.49
ALDH1A1 P00352 3/20 0.47
TACR1 P25103 1/20 0.47
GPR35 Q9HC97 1/20 0.46
RHOC P08134 3/20 0.46
RHOA P61586 3/20 0.46
MAPT P10636 2/20 0.45
P2RX1 P51575 2/20 0.44
IKBKE Q14164 1/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
XBP1 P17861 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
THRB P10828 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
SCHEMBL263685 0.89 LMNA (0.65) LMNAACP1NNMTALDH1A1TACR1
SCHEMBL15542485 0.85 LMNA (0.55) LMNAACP1ALDH1A1TACR1GPR35
SCHEMBL20568446 0.84 ALDH1A1 (0.54) LMNAACP1ALDH1A1TACR1GPR35
SCHEMBL4013181 0.83 LMNA (0.54) LMNAACP1NNMTALDH1A1TACR1
SCHEMBL22387603 0.81 MAPT (0.53) LMNAACP1NNMTALDH1A1TACR1
SCHEMBL20568430 0.81 LMNA (0.49) LMNAACP1ALDH1A1TACR1GPR35
SCHEMBL15542219 0.81 SMN1; SMN2 (0.64) LMNAACP1ALDH1A1TACR1RHOC
SCHEMBL12475154 0.80 GPR35 (0.56) LMNAACP1ALDH1A1TACR1GPR35
SCHEMBL18763045 0.80 NNMT (0.57) LMNAACP1NNMTALDH1A1TACR1
SCHEMBL16904552 0.79 MAPT (0.53) LMNAACP1ALDH1A1GPR35MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023125751-A1 DIA-BASED QUANTITATIVE CHEMICAL PROTEOMICS TARGET SCREENING METHOD 北京大学 2023-07-06 WO disclosed