SCHEMBL1923591

SCHEMBL1923591

CCCCOc1ccc(C(=O)Oc2ccccc2N=Nc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.52
ACR P10323 1/20 0.52
KMT2A Q03164 2/20 0.49
PPARA Q07869 5/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 3/20 0.46
NPC1 O15118 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
PPARG P37231 3/20 0.46
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL1923594 0.86 PRSS1 (0.68) PRSS1ACRKMT2APPARAMAPT
SCHEMBL14130431 0.83 MAPT (0.58) PRSS1ACRKMT2AMAPTLMNA
SCHEMBL3344394 0.80 PRSS1 (0.49) PRSS1ACRKMT2AMAPTLMNA
SCHEMBL30279573 0.79 CYP1A2 (0.50) KMT2APPARAMAPTLMNANPC1
SCHEMBL5706230 0.78 KMT2A (0.70) PRSS1ACRKMT2AMAPTLMNA
SCHEMBL14130187 0.78 SERPINE1 (0.47) PRSS1ACRKMT2AMAPTNPC1
SCHEMBL10596404 0.77 NPC1 (0.61) KMT2AMAPTLMNANPC1CYP1A2
SCHEMBL9152639 0.77 NPC1 (0.61) KMT2AMAPTLMNANPC1CYP1A2
SCHEMBL5705976 0.77 KMT2A (0.55) PRSS1ACRKMT2APPARAMAPT
SCHEMBL26602060 0.77 PRSS1 (0.70) PRSS1ACRKMT2AMAPTLMNA

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
EP-2328541-A1 A STIMULATABLE ASYMMETRICAL POLYMERSOME Institut Curie (FR) 2011-06-08 EP claimed