SCHEMBL27780413

SCHEMBL27780413

Cc1nn(-c2ccccn2)c(C)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ HPGD P15428 2/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ ALKBH1 Q13686 1/20 0.51
▸ MAPT P10636 3/20 0.49
▸ POLB P06746 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PLK4 O00444 1/20 0.45
▸ ROCK2 O75116 1/20 0.45
▸ RPS6KA5 O75582 1/20 0.45

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
SCHEMBL20551471 0.85 MAPT (0.60) ALDH1A1HPGDALOX15HSD17B10MAPT
SCHEMBL123446 0.82 PDE4D (0.67) ALDH1A1HPGDALOX15HSD17B10MAPT
SCHEMBL26659276 0.81 ALKBH1 (0.59) HPGDALKBH1MAPTPOLBCYP1A2
SCHEMBL13607159 0.81 LMNA (0.47) HPGDALKBH1MAPTPOLBCYP1A2
SCHEMBL2938583 0.79 MEN1 (0.69) HPGDMAPTPOLBCYP1A2CYP2C9
SCHEMBL15180443 0.79 ALKBH1 (0.48) ALKBH1MAPTPOLBCYP1A2CYP2C9
SCHEMBL18949733 0.77 ALDH1A1 (0.55) ALDH1A1HPGDALOX15HSD17B10MAPT
SCHEMBL3462043 0.76 KDM4E (0.63) ALDH1A1HPGDALOX15HSD17B10MAPT
SCHEMBL3683672 0.75 ALDH1A1 (0.50) ALDH1A1HPGDALOX15HSD17B10MAPT
SCHEMBL6391565 0.74 FLT3 (0.63) ALDH1A1HPGDALOX15HSD17B10MAPT

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
CN-101555257-B Synthesizing method of 1-aryl-3, 5-dimethyl pyrazole-4-formic acid organotin derivatives and applications NANKAI UNIVERSITY (CN) 2011-12-14 — — CN disclosed
CN-101555257-A Synthesizing method of 1-aryl-3, 5-dimethyl pyrazole-4-formic acid organotin derivatives and applications UNIV NANKAI (CN) 2009-10-14 — — CN disclosed
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