SCHEMBL13726874

SCHEMBL13726874

N=C(N)N(CCCCCCN(C(=N)N)C(=N)Nc1ccc(Cl)cc1)C(=N)Nc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.43
▸ ALOX15 P16050 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ GBA1 P04062 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ MC4R P32245 2/20 0.42
▸ RAD52 P43351 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ SYNJ2 O15056 1/20 0.42
▸ SLC22A2 O15244 1/20 0.42
▸ SLC22A1 O15245 1/20 0.42
▸ MLNR O43193 1/20 0.42
▸ NR1I2 O75469 1/20 0.42
▸ SLC22A3 O75751 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ ADRB2 P07550 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
SCHEMBL11501545 0.85 MEN1 (0.46) NPC1ALOX15LMNAGBA1TP53
SCHEMBL11668286 0.85 TSHR (0.49) NPC1ALOX15LMNAGBA1TP53
SCHEMBL11668321 0.85 TSHR (0.49) NPC1ALOX15LMNAGBA1TP53
SCHEMBL11501626 0.85 TSHR (0.49) NPC1ALOX15LMNAGBA1TP53
SCHEMBL29748200 0.80 GBA1 (0.32) ALOX15LMNAGBA1TP53CYP3A4
SCHEMBL11501927 0.75 TSHR (0.51) NPC1ALOX15LMNATP53TSHR
SCHEMBL14868758 0.73 TSHR (0.49) NPC1ALOX15LMNATSHRHTT
SCHEMBL11501940 0.72 CACNA1G (0.50) TP53CNR1SIGMAR1
SCHEMBL11070209 0.71 MEN1 (0.47) NPC1ALOX15LMNAGBA1TP53
SCHEMBL11501785 0.71 TSHR (0.54) NPC1ALOX15LMNATP53TSHR

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
EP-2705390-A1 MEDICAL DEVICES HAVING HOMOGENEOUS CHARGE DENSITY AND METHODS FOR MAKING SAME Johnson & Johnson Vision Care Inc. (US) 2014-03-12 — — EP disclosed
WO-2012151135-A1 MEDICAL DEVICES HAVING HOMOGENEOUS CHARGE DENSITY AND METHODS FOR MAKING SAME JOHNSON & JOHNSON VISION CARE, INC. (US) 2012-11-08 — — WO disclosed
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